4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile

C13H15ClN2 — CID 10911504

IUPAC4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
InChIKeyAYWBNYYILPCQOL-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.83
Rot. Bonds1

About 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile

4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile (PubChem CID 10911504) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile
PubChem CID10911504
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
InChIKeyAYWBNYYILPCQOL-UHFFFAOYSA-N
XLogP2.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.83
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-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile (CID 10911504) is 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile is CN1CCC(C#N)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile?
The InChIKey is AYWBNYYILPCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile?
4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile has a molecular weight of 234.73 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 10911504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).