4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile

C18H23ClN2 — CID 146458821

IUPAC4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H23ClN2/c19-17-7-5-16(6-8-17)18(14-20)9-11-21(12-10-18)13-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2
InChIKeyQJSFHUYEZMXWPD-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile

4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile (PubChem CID 146458821) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile
PubChem CID146458821
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H23ClN2/c19-17-7-5-16(6-8-17)18(14-20)9-11-21(12-10-18)13-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2
InChIKeyQJSFHUYEZMXWPD-UHFFFAOYSA-N
XLogP4.39
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile (CID 146458821) is 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile is N#CC1(c2ccc(Cl)cc2)CCN(CC2CCCC2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile?
The InChIKey is QJSFHUYEZMXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c19-17-7-5-16(6-8-17)18(14-20)9-11-21(12-10-18)13-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2.
What are the key properties of 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile?
4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile has a molecular weight of 302.85 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(cyclopentylmethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 146458821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).