4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride

C13H16Cl2N2 — CID 140766672

IUPAC4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C13H15ClN2.ClH/c14-12-3-1-11(2-4-12)9-13(10-15)5-7-16-8-6-13;/h1-4,16H,5-9H2;1H
InChIKeyZPIFBBMLIAQXTO-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.20
Rot. Bonds2

About 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride

4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride (PubChem CID 140766672) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
PubChem CID140766672
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C13H15ClN2.ClH/c14-12-3-1-11(2-4-12)9-13(10-15)5-7-16-8-6-13;/h1-4,16H,5-9H2;1H
InChIKeyZPIFBBMLIAQXTO-UHFFFAOYSA-N
XLogP3.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride (CID 140766672) is 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(Cc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The InChIKey is ZPIFBBMLIAQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.ClH/c14-12-3-1-11(2-4-12)9-13(10-15)5-7-16-8-6-13;/h1-4,16H,5-9H2;1H.
What are the key properties of 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride has a molecular weight of 271.19 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 140766672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).