4-phenylpiperidine-4-carbonitrile;hydrochloride

C12H15ClN2 — CID 3084973

IUPAC4-phenylpiperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
InChIKeyCQPHZBOPSZGTJM-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.25
Rot. Bonds1

About 4-phenylpiperidine-4-carbonitrile;hydrochloride

4-phenylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 3084973) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-phenylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-phenylpiperidine-4-carbonitrile;hydrochloride
PubChem CID3084973
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4-phenylpiperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2ccccc2)CCNCC1
InChIInChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H
InChIKeyCQPHZBOPSZGTJM-UHFFFAOYSA-N
XLogP2.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-phenylpiperidine-4-carbonitrile;hydrochloride (CID 3084973) is 4-phenylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-phenylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-phenylpiperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-phenylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is CQPHZBOPSZGTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H.
What are the key properties of 4-phenylpiperidine-4-carbonitrile;hydrochloride?
4-phenylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 3084973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).