1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile

C23H29N3 — CID 77097038

IUPAC1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCC(c1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1)N(C)C
InChIInChI=1S/C23H29N3/c1-19(25(2)3)21-9-7-8-20(16-21)17-26-14-12-23(18-24,13-15-26)22-10-5-4-6-11-22/h4-11,16,19H,12-15,17H2,1-3H3
InChIKeyUWTGUAOTQRAKMW-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.37
Rot. Bonds5

About 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile

1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 77097038) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID77097038
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCC(c1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1)N(C)C
InChIInChI=1S/C23H29N3/c1-19(25(2)3)21-9-7-8-20(16-21)17-26-14-12-23(18-24,13-15-26)22-10-5-4-6-11-22/h4-11,16,19H,12-15,17H2,1-3H3
InChIKeyUWTGUAOTQRAKMW-UHFFFAOYSA-N
XLogP4.37
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
CID 77093651
2-amino-3-[3-[(4-cyano-4-phenylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 11610247
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
1-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 131908217
9-[[3-[(1S)-1-(dimethylamino)ethyl]phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97139012
1-benzyl-4-(4-fluoro-3-methylphenyl)piperidine-4-carbonitrile
CID 70261851
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
CID 91842439
4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile
CID 4792426

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile (CID 77097038) is 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile is CC(c1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1)N(C)C.
What is the InChIKey of 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is UWTGUAOTQRAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-19(25(2)3)21-9-7-8-20(16-21)17-26-14-12-23(18-24,13-15-26)22-10-5-4-6-11-22/h4-11,16,19H,12-15,17H2,1-3H3.
What are the key properties of 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile?
1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 347.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 77097038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).