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

C20H22N2O — CID 68708591

IUPAC1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCOc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O/c1-23-19-9-7-17(8-10-19)15-22-13-11-20(16-21,12-14-22)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyDPMZUHRURXXCMM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 68708591) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID68708591
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
SMILESCOc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O/c1-23-19-9-7-17(8-10-19)15-22-13-11-20(16-21,12-14-22)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyDPMZUHRURXXCMM-UHFFFAOYSA-N
XLogP3.75
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233
1-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 131908217
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77079767
4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile
CID 4792426
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
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropanenitrile
CID 60702946

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile (CID 68708591) is 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile is COc1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is DPMZUHRURXXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-23-19-9-7-17(8-10-19)15-22-13-11-20(16-21,12-14-22)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile?
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 68708591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).