1-benzyl-4-phenylpiperidine-4-carbonitrile;methane

C20H24N2 — CID 161359636

IUPAC1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
SMILESC.N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N2.CH4/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;1H4
InChIKeyVOZUYMSXKSHHKI-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.38
Rot. Bonds3

About 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane

1-benzyl-4-phenylpiperidine-4-carbonitrile;methane (PubChem CID 161359636) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane.

Molecular Properties

Compound Name1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
PubChem CID161359636
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
SMILESC.N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N2.CH4/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;1H4
InChIKeyVOZUYMSXKSHHKI-UHFFFAOYSA-N
XLogP4.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile
CID 4792426
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-benzyl-4-(4-fluoro-3-methylphenyl)piperidine-4-carbonitrile
CID 70261851
1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77097038
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
1-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 131908217
2-amino-3-[3-[(4-cyano-4-phenylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 11610247
CID 163665844
CID 163665844
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
CID 91842439

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane?
The IUPAC name of 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane (CID 161359636) is 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane.
What is the SMILES notation for 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane?
The canonical SMILES for 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane is C.N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane?
The InChIKey is VOZUYMSXKSHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2.CH4/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;1H4.
What are the key properties of 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane?
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane has a molecular weight of 292.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylpiperidine-4-carbonitrile;methane is sourced from PubChem (CID 161359636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).