1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile

C20H19N3 — CID 44768233

IUPAC1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H19N3/c21-14-17-6-8-18(9-7-17)15-23-12-10-20(16-22,11-13-23)19-4-2-1-3-5-19/h1-9H,10-13,15H2
InChIKeyRWDHWBBIDQSMRY-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.62
Rot. Bonds3

About 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile

1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 44768233) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID44768233
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H19N3/c21-14-17-6-8-18(9-7-17)15-23-12-10-20(16-22,11-13-23)19-4-2-1-3-5-19/h1-9H,10-13,15H2
InChIKeyRWDHWBBIDQSMRY-UHFFFAOYSA-N
XLogP3.62
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
1-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 131908217
4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile
CID 4792426
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-[(4-cyanophenyl)methyl]-4-phenoxypiperidine-4-carboxylic acid
CID 56892141
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
CID 163665844
CID 163665844
2-amino-3-[3-[(4-cyano-4-phenylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 11610247
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzonitrile
CID 107404533

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile (CID 44768233) is 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile is N#Cc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is RWDHWBBIDQSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c21-14-17-6-8-18(9-7-17)15-23-12-10-20(16-22,11-13-23)19-4-2-1-3-5-19/h1-9H,10-13,15H2.
What are the key properties of 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 44768233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).