1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride

C20H23ClN2O — CID 67562153

IUPAC1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCOc1cccc(C2(C#N)CCN(Cc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-23-19-9-5-8-18(14-19)20(16-21)10-12-22(13-11-20)15-17-6-3-2-4-7-17;/h2-9,14H,10-13,15H2,1H3;1H
InChIKeyGPXMAHCFNQXCOF-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.17
Rot. Bonds4

About 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride

1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride (PubChem CID 67562153) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
PubChem CID67562153
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
SMILESCOc1cccc(C2(C#N)CCN(Cc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-23-19-9-5-8-18(14-19)20(16-21)10-12-22(13-11-20)15-17-6-3-2-4-7-17;/h2-9,14H,10-13,15H2,1H3;1H
InChIKeyGPXMAHCFNQXCOF-UHFFFAOYSA-N
XLogP4.17
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-benzyl-4-(4-fluoro-3-methylphenyl)piperidine-4-carbonitrile
CID 70261851
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
1-[3-(3-methoxyphenyl)propanoyl]-4-phenylpiperidine-4-carbonitrile
CID 110711553
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233
1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
CID 22729934
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride (CID 67562153) is 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride is COc1cccc(C2(C#N)CCN(Cc3ccccc3)CC2)c1.Cl.
What is the InChIKey of 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
The InChIKey is GPXMAHCFNQXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-23-19-9-5-8-18(14-19)20(16-21)10-12-22(13-11-20)15-17-6-3-2-4-7-17;/h2-9,14H,10-13,15H2,1H3;1H.
What are the key properties of 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride?
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67562153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).