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162997-46-8,MFCD08689746
Catalog No.:AA001TI8

162997-46-8 | 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$145.00   $102.00
- +
5g
96%
in stock  
$353.00   $247.00
- +
10g
96%
in stock  
$535.00   $375.00
- +
25g
96%
in stock  
$1,208.00   $846.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001TI8
Chemical Name:
4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
CAS Number:
162997-46-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD08689746
SMILES:
OCC1CCN(CC1)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.8  

Downstream Synthesis Route
4-piperidinemethanolhydrochloride 
  1194-02-1    7087-68-5    162997-46-8 

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US5442064,1995,A

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US5442064,1995,A

[1]Miyazaki,Yutaka;Kato,Yutaka;Manabe,Tadashi;Shimada,Hiroyasu;Mizuno,Masashi;Egusa,Takayuki;Ohkouchi,Munetaka;Shiromizu,Ikuya;Matsusue,Tomokazu;Yamamoto,Ichiro[BioorganicandMedicinalChemistryLetters,2006,vol.16,#11,p.2986-2990]

[1]Kang,Sunhee;Kim,YoungMi;Kim,RyangYeo;Seo,MinJung;No,Zaesung;Nam,Kiyean;Kim,Sanghee;Kim,Jaeseung[EuropeanJournalofMedicinalChemistry,2017,vol.125,p.807-815]

162997-46-8   
C20H23F3N2O2 

[1]Kang,Sunhee;Kim,YoungMi;Kim,RyangYeo;Seo,MinJung;No,Zaesung;Nam,Kiyean;Kim,Sanghee;Kim,Jaeseung[EuropeanJournalofMedicinalChemistry,2017,vol.125,p.807-815]

Literature
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SDS
Tags:162997-46-8 Molecular Formula|162997-46-8 MDL|162997-46-8 SMILES|162997-46-8 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile