6-(2-chlorophenyl)piperidine-3-carbonitrile

C12H13ClN2 — CID 117168145

IUPAC6-(2-chlorophenyl)piperidine-3-carbonitrile
SMILESN#CC1CCC(c2ccccc2Cl)NC1
InChIInChI=1S/C12H13ClN2/c13-11-4-2-1-3-10(11)12-6-5-9(7-14)8-15-12/h1-4,9,12,15H,5-6,8H2
InChIKeyQRQNSDGWSMGYLY-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.90
Rot. Bonds1

About 6-(2-chlorophenyl)piperidine-3-carbonitrile

6-(2-chlorophenyl)piperidine-3-carbonitrile (PubChem CID 117168145) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 6-(2-chlorophenyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chlorophenyl)piperidine-3-carbonitrile
PubChem CID117168145
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name6-(2-chlorophenyl)piperidine-3-carbonitrile
SMILESN#CC1CCC(c2ccccc2Cl)NC1
InChIInChI=1S/C12H13ClN2/c13-11-4-2-1-3-10(11)12-6-5-9(7-14)8-15-12/h1-4,9,12,15H,5-6,8H2
InChIKeyQRQNSDGWSMGYLY-UHFFFAOYSA-N
XLogP2.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)piperidine-3-carbonitrile?
The IUPAC name of 6-(2-chlorophenyl)piperidine-3-carbonitrile (CID 117168145) is 6-(2-chlorophenyl)piperidine-3-carbonitrile.
What is the SMILES notation for 6-(2-chlorophenyl)piperidine-3-carbonitrile?
The canonical SMILES for 6-(2-chlorophenyl)piperidine-3-carbonitrile is N#CC1CCC(c2ccccc2Cl)NC1.
What is the InChIKey of 6-(2-chlorophenyl)piperidine-3-carbonitrile?
The InChIKey is QRQNSDGWSMGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-11-4-2-1-3-10(11)12-6-5-9(7-14)8-15-12/h1-4,9,12,15H,5-6,8H2.
What are the key properties of 6-(2-chlorophenyl)piperidine-3-carbonitrile?
6-(2-chlorophenyl)piperidine-3-carbonitrile has a molecular weight of 220.70 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)piperidine-3-carbonitrile is sourced from PubChem (CID 117168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).