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Home Nitriles 1-Benzyl-4-phenylpiperidine-4-carbonitrile

1-Benzyl-4-phenylpiperidine-4-carbonitrile

CAS No.:
56243-25-5
Catalog Number:
AG003B11
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
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Product Description
Catalog Number:
AG003B11
Chemical Name:
1-Benzyl-4-phenylpiperidine-4-carbonitrile
CAS Number:
56243-25-5
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
MDL Number:
MFCD00044826
IUPAC Name:
1-benzyl-4-phenylpiperidine-4-carbonitrile
InChI:
InChI=1S/C19H20N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-15H2
InChI Key:
AUBONLVMDCVPQE-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)Cc1ccccc1)c1ccccc1
EC Number:
275-305-7
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.163g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.383g/mol
Monoisotopic Mass:
276.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Nitrile analogs of meperidine as high affinity and selective sigma-1 receptor ligands. European journal of medicinal chemistry 20080601
Properties