Name: Name:3-Benzylpiperidine
Brand: AABLOCKS
SKU: AA009AX8
Rating: 90 (10 reviews)

Catalog No.: AA009AX8

13603-25-3 | 3-Benzylpiperidine

Pack Size： 100mg

Purity： 96%

in stock

$31.00 $22.00

Pack Size： 250mg

Purity： 96%

in stock

$75.00 $53.00

Pack Size： 1g

Purity： 98%(GC)

in stock

$226.00 $158.00

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Technical Information

Catalog Number: AA009AX8

Chemical Name: 3-Benzylpiperidine

CAS Number: 13603-25-3

Molecular Formula: C12H17N

Molecular Weight: 175.2701

MDL Number: MFCD03426127

SMILES: C1CCC(CN1)Cc1ccccc1

Properties

Complexity: 138

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Downstream Synthesis Route

620-95-1

13603-25-3

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2013/102242,2013,A1Locationinpatent:Page/Pagecolumn93

[2]Ablordeppey,SethY;Fischer,JamesB;Law;Glennon,RichardA[Bioorganicandmedicinalchemistry,2002,vol.10,#8,p.2759-2765]

[3]Liu,Zhi-Yun;Wen,Zhi-Hui;Wang,Xiao-Chen[AngewandteChemie-InternationalEdition,2017,vol.56,#21,p.5817-5820][Angew.Chem.,2017,vol.129,p.5911-5914,4]

[4]Tschitschibabin[ChemischeBerichte,1903,vol.36,p.2711]

[5]CurrentPatentAssignee:SANOFI-US4069256,1978,ACurrentPatentAssignee:SANOFI-US4216326,1980,ACurrentPatentAssignee:SANOFI-US4308382,1981,A

5424-19-1

13603-25-3

[1]Walters;McElvain[JournaloftheAmericanChemicalSociety,1933,vol.55,p.4625,4626]

[2]Tschitschibabin[ChemischeBerichte,1903,vol.36,p.2711]

13603-25-3

185316-64-7

1026916-01-7

[1]Ding,CharlesZ.;Rovnyak,GeorgeC.;Misra,RajN.;Grover,GaryJ.;Miller,ArthurV.;Ahmed,SyedZ.;Kelly,Yolanda;Normandin,DianeE.;Sleph,PaulG.;Atwal,KarnailS.[JournalofMedicinalChemistry,1999,vol.42,#18,p.3711-3717]

13603-25-3

14469-83-1

1-(5-Phenylpentyl)-3-benzylpiperidine

[1]Ablordeppey,SethY;Fischer,JamesB;Law;Glennon,RichardA[Bioorganicandmedicinalchemistry,2002,vol.10,#8,p.2759-2765]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: From rigid cyclic templates to conformationally stabilized acyclic scaffolds. Part II: Acyclic replacements for the (3S)-3-benzylpiperidine in a series of potent CCR3 antagonists.

Journal: Bioorganic & medicinal chemistry letters20080115

Title: Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency.

Journal: Journal of medicinal chemistry20050324

Title: Discovery of N-propylurea 3-benzylpiperidines as selective CC chemokine receptor-3 (CCR3) antagonists.

Journal: Bioorganic & medicinal chemistry letters20040405