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

C13H16Cl2N2 — CID 11369269

IUPAC4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride
SMILESCN1CCC(C#N)(c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C13H15ClN2.ClH/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11;/h2-5H,6-9H2,1H3;1H
InChIKeyFLVSFVCLVOZNFK-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.25
Rot. Bonds1

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

4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 11369269) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride
PubChem CID11369269
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride
SMILESCN1CCC(C#N)(c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C13H15ClN2.ClH/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11;/h2-5H,6-9H2,1H3;1H
InChIKeyFLVSFVCLVOZNFK-UHFFFAOYSA-N
XLogP3.25
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.25
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;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride (CID 11369269) is 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride is CN1CCC(C#N)(c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is FLVSFVCLVOZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.ClH/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11;/h2-5H,6-9H2,1H3;1H.
What are the key properties of 4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride?
4-(4-chlorophenyl)-1-methylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 271.19 g/mol, XLogP of 3.25, 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;hydrochloride is sourced from PubChem (CID 11369269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).