125743-63-7,MFCD08060531
Catalog No.:AA000OJ1

125743-63-7 | 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$45.00   $32.00
- +
1g
98%
in stock  
$128.00   $90.00
- +
5g
98%
in stock  
$419.00   $294.00
- +
25g
98%
in stock  
$1,424.00 $997.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000OJ1
Chemical Name:
4-(4-Methylpiperazin-1-ylmethyl)benzonitrile
CAS Number:
125743-63-7
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD08060531
SMILES:
CN1CCN(CC1)Cc1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
252  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Kompella,Amala;Adibhatla,BhujangaRaoKalisatya;Muddasani,PullaReddy;Rachakonda,Sreenivas;Gampa,VenugopalaKrishna;Dubey,PramodKumar[OrganicProcessResearchandDevelopment,2012,vol.16,#11,p.1794-1804]

[2]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2013/35102,2013,A1Locationinpatent:Page/Pagecolumn20

[3]Malki,WaleedH.;Gouda,AhmedM.;Ali,HamdyE.A.;Al-Rousan,Rabaa;Samaha,Doaa;Abdalla,AshrafN.;Bustamante,Juan;AbdElmageed,ZakariaY.;Ali,HamedI.[EuropeanJournalofMedicinalChemistry,2018,vol.152,p.31-52]

[4]CurrentPatentAssignee:MERCKKGAA-US2016/96834,2016,A1Locationinpatent:Paragraph0449

[5]Sairam;Puranik,Ramachandra;Kelkar,AvijitS.;Sasikiran;Veerender;Parvathi[SyntheticCommunications,2003,vol.33,#20,p.3597-3605]

[6]CurrentPatentAssignee:JIANGSUHENGRUIMEDICINECO.,LTD.-CN110317202,2019,ALocationinpatent:Paragraph0254;0255;0256;0257;0258-0261

[7]CurrentPatentAssignee:GENEXTRASPA-WO2007/113249,2007,A2Locationinpatent:Page/Pagecolumn39

[8]Thaler,Florian;Colombo,Andrea;Mai,Antonello;Amici,Raffaella;Bigogno,Chiara;Boggio,Roberto;Cappa,Anna;Carrara,Simone;Cataudella,Tiziana;Fusar,Fulvia;Gianti,Eleonora;DiVentimiglia,SamueleJoppolo;Moroni,Maurizio;Munari,Davide;Pain,Gilles;Regalia,Nickolas;Sartori,Luca;Vultaggio,Stefania;Dondio,Giulio;Gagliardi,Stefania;Minucci,Saverio;Mercurio,Ciro;Varasi,Mario[JournalofMedicinalChemistry,2010,vol.53,#2,p.822-839]

[9]CurrentPatentAssignee:GENEXTRASPA-EP2033956,2009,A1Locationinpatent:Page/Pagecolumn14

[10]Paine,HelenA.;Nathubhai,Amit;Woon,EstherC.Y.;Sunderland,PeterT.;Wood,PaulineJ.;Mahon,MaryF.;Lloyd,MatthewD.;Thompson,AndrewS.;Haikarainen,Teemu;Narwal,Mohit;Lehtiö,Lari;Threadgill,MichaelD.[BioorganicandMedicinalChemistry,2015,vol.23,#17,p.5891-5908]

[11]CurrentPatentAssignee:MEIJIHOLDINGSCO.,LTD-US5686442,1997,A

[12]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

[1]Thaler,Florian;Colombo,Andrea;Mai,Antonello;Amici,Raffaella;Bigogno,Chiara;Boggio,Roberto;Cappa,Anna;Carrara,Simone;Cataudella,Tiziana;Fusar,Fulvia;Gianti,Eleonora;DiVentimiglia,SamueleJoppolo;Moroni,Maurizio;Munari,Davide;Pain,Gilles;Regalia,Nickolas;Sartori,Luca;Vultaggio,Stefania;Dondio,Giulio;Gagliardi,Stefania;Minucci,Saverio;Mercurio,Ciro;Varasi,Mario[JournalofMedicinalChemistry,2010,vol.53,#2,p.822-839]

[2]CurrentPatentAssignee:GENEXTRASPA-WO2007/113249,2007,A2Locationinpatent:Page/Pagecolumn39

[3]CurrentPatentAssignee:GENEXTRASPA-EP2033956,2009,A1Locationinpatent:Page/Pagecolumn14

[4]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

125743-63-7   
4-(4-N-methylpiperazine-1-yl)methylbenzoicaciddihydrochloride 

[1]Locationinpatent:experimentalpartLiu,Haiyan;Xia,Wenpin;Luo,Yu;Lu,Wei[MonatsheftefurChemie,2010,vol.141,#8,p.907-911]

[2]CurrentPatentAssignee:HEFEILEAFBIOTECH-CN110981833,2020,ALocationinpatent:Paragraph0024-0033

[3]Sairam;Puranik,Ramachandra;Kelkar,AvijitS.;Sasikiran;Veerender;Parvathi[SyntheticCommunications,2003,vol.33,#20,p.3597-3605]

[4]Kompella,Amala;Adibhatla,BhujangaRaoKalisatya;Muddasani,PullaReddy;Rachakonda,Sreenivas;Gampa,VenugopalaKrishna;Dubey,PramodKumar[OrganicProcessResearchandDevelopment,2012,vol.16,#11,p.1794-1804]

[5]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2013/35102,2013,A1Locationinpatent:Page/Pagecolumn20

[1]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

[2]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

[1]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

Literature
Quotation Request
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Additional Info:
SDS
Tags:125743-63-7 Molecular Formula|125743-63-7 MDL|125743-63-7 SMILES|125743-63-7 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile
Catalog No.: AA000OJ1
125743-63-7,MFCD08060531
125743-63-7 | 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile
Pack Size: 250mg
Purity: 97%
in stock
$45.00 $32.00
Pack Size: 1g
Purity: 98%
in stock
$128.00 $90.00
Pack Size: 5g
Purity: 98%
in stock
$419.00 $294.00
Pack Size: 25g
Purity: 98%
in stock
$1,424.00 $997.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000OJ1
Chemical Name: 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile
CAS Number: 125743-63-7
Molecular Formula: C13H17N3
Molecular Weight: 215.2942
MDL Number: MFCD08060531
SMILES: CN1CCN(CC1)Cc1ccc(cc1)C#N
Properties
Complexity: 252  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
109-01-3    17201-43-3    125743-63-7 

[1]Kompella,Amala;Adibhatla,BhujangaRaoKalisatya;Muddasani,PullaReddy;Rachakonda,Sreenivas;Gampa,VenugopalaKrishna;Dubey,PramodKumar[OrganicProcessResearchandDevelopment,2012,vol.16,#11,p.1794-1804]

[2]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2013/35102,2013,A1Locationinpatent:Page/Pagecolumn20

[3]Malki,WaleedH.;Gouda,AhmedM.;Ali,HamdyE.A.;Al-Rousan,Rabaa;Samaha,Doaa;Abdalla,AshrafN.;Bustamante,Juan;AbdElmageed,ZakariaY.;Ali,HamedI.[EuropeanJournalofMedicinalChemistry,2018,vol.152,p.31-52]

[4]CurrentPatentAssignee:MERCKKGAA-US2016/96834,2016,A1Locationinpatent:Paragraph0449

[5]Sairam;Puranik,Ramachandra;Kelkar,AvijitS.;Sasikiran;Veerender;Parvathi[SyntheticCommunications,2003,vol.33,#20,p.3597-3605]

[6]CurrentPatentAssignee:JIANGSUHENGRUIMEDICINECO.,LTD.-CN110317202,2019,ALocationinpatent:Paragraph0254;0255;0256;0257;0258-0261

[7]CurrentPatentAssignee:GENEXTRASPA-WO2007/113249,2007,A2Locationinpatent:Page/Pagecolumn39

[8]Thaler,Florian;Colombo,Andrea;Mai,Antonello;Amici,Raffaella;Bigogno,Chiara;Boggio,Roberto;Cappa,Anna;Carrara,Simone;Cataudella,Tiziana;Fusar,Fulvia;Gianti,Eleonora;DiVentimiglia,SamueleJoppolo;Moroni,Maurizio;Munari,Davide;Pain,Gilles;Regalia,Nickolas;Sartori,Luca;Vultaggio,Stefania;Dondio,Giulio;Gagliardi,Stefania;Minucci,Saverio;Mercurio,Ciro;Varasi,Mario[JournalofMedicinalChemistry,2010,vol.53,#2,p.822-839]

[9]CurrentPatentAssignee:GENEXTRASPA-EP2033956,2009,A1Locationinpatent:Page/Pagecolumn14

[10]Paine,HelenA.;Nathubhai,Amit;Woon,EstherC.Y.;Sunderland,PeterT.;Wood,PaulineJ.;Mahon,MaryF.;Lloyd,MatthewD.;Thompson,AndrewS.;Haikarainen,Teemu;Narwal,Mohit;Lehtiö,Lari;Threadgill,MichaelD.[BioorganicandMedicinalChemistry,2015,vol.23,#17,p.5891-5908]

[11]CurrentPatentAssignee:MEIJIHOLDINGSCO.,LTD-US5686442,1997,A

[12]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

75-16-1    125743-63-7    125743-59-1 

[1]Thaler,Florian;Colombo,Andrea;Mai,Antonello;Amici,Raffaella;Bigogno,Chiara;Boggio,Roberto;Cappa,Anna;Carrara,Simone;Cataudella,Tiziana;Fusar,Fulvia;Gianti,Eleonora;DiVentimiglia,SamueleJoppolo;Moroni,Maurizio;Munari,Davide;Pain,Gilles;Regalia,Nickolas;Sartori,Luca;Vultaggio,Stefania;Dondio,Giulio;Gagliardi,Stefania;Minucci,Saverio;Mercurio,Ciro;Varasi,Mario[JournalofMedicinalChemistry,2010,vol.53,#2,p.822-839]

[2]CurrentPatentAssignee:GENEXTRASPA-WO2007/113249,2007,A2Locationinpatent:Page/Pagecolumn39

[3]CurrentPatentAssignee:GENEXTRASPA-EP2033956,2009,A1Locationinpatent:Page/Pagecolumn14

[4]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

125743-63-7   
4-(4-N-methylpiperazine-1-yl)methylbenzoicaciddihydrochloride 

[1]Locationinpatent:experimentalpartLiu,Haiyan;Xia,Wenpin;Luo,Yu;Lu,Wei[MonatsheftefurChemie,2010,vol.141,#8,p.907-911]

[2]CurrentPatentAssignee:HEFEILEAFBIOTECH-CN110981833,2020,ALocationinpatent:Paragraph0024-0033

[3]Sairam;Puranik,Ramachandra;Kelkar,AvijitS.;Sasikiran;Veerender;Parvathi[SyntheticCommunications,2003,vol.33,#20,p.3597-3605]

[4]Kompella,Amala;Adibhatla,BhujangaRaoKalisatya;Muddasani,PullaReddy;Rachakonda,Sreenivas;Gampa,VenugopalaKrishna;Dubey,PramodKumar[OrganicProcessResearchandDevelopment,2012,vol.16,#11,p.1794-1804]

[5]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2013/35102,2013,A1Locationinpatent:Page/Pagecolumn20

125743-63-7    125743-61-5 

[1]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

[2]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

125743-63-7    125743-60-4 

[1]Strekowski,Lucjan;Cegla,MarekT.;Kong,Suk-Bin;Harden,DonaldB.[JournalofHeterocyclicChemistry,1989,vol.26,p.923-928]

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