2-(2,4-dichlorophenyl)piperidine-4-carbonitrile

C12H12Cl2N2 — CID 170903904

IUPAC2-(2,4-dichlorophenyl)piperidine-4-carbonitrile
SMILESN#CC1CCNC(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H12Cl2N2/c13-9-1-2-10(11(14)6-9)12-5-8(7-15)3-4-16-12/h1-2,6,8,12,16H,3-5H2
InChIKeyLAFLQIFWHIHJBE-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.56
Rot. Bonds1

About 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile

2-(2,4-dichlorophenyl)piperidine-4-carbonitrile (PubChem CID 170903904) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)piperidine-4-carbonitrile
PubChem CID170903904
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name2-(2,4-dichlorophenyl)piperidine-4-carbonitrile
SMILESN#CC1CCNC(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H12Cl2N2/c13-9-1-2-10(11(14)6-9)12-5-8(7-15)3-4-16-12/h1-2,6,8,12,16H,3-5H2
InChIKeyLAFLQIFWHIHJBE-UHFFFAOYSA-N
XLogP3.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile (CID 170903904) is 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile is N#CC1CCNC(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile?
The InChIKey is LAFLQIFWHIHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c13-9-1-2-10(11(14)6-9)12-5-8(7-15)3-4-16-12/h1-2,6,8,12,16H,3-5H2.
What are the key properties of 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile?
2-(2,4-dichlorophenyl)piperidine-4-carbonitrile has a molecular weight of 255.15 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 170903904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).