Home Nitriles 1-Benzyl-3-piperidineacetonitrile

1-Benzyl-3-piperidineacetonitrile

CAS No.:
5562-20-9
Catalog Number:
AG00DDWL
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
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Product Description
Catalog Number:
AG00DDWL
Chemical Name:
1-Benzyl-3-piperidineacetonitrile
CAS Number:
5562-20-9
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
MDL Number:
MFCD09746062
IUPAC Name:
2-(1-benzylpiperidin-3-yl)acetonitrile
InChI:
InChI=1S/C14H18N2/c15-9-8-14-7-4-10-16(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-8,10-12H2
InChI Key:
QLRIWGFJEARQCE-UHFFFAOYSA-N
SMILES:
N#CCC1CCCN(C1)Cc1ccccc1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties