2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine

C17H16Cl3N — CID 71176112

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
SMILESClc1ccc(C2CCCCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N/c18-13-6-4-12(5-7-13)16-3-1-2-10-21(16)17-9-8-14(19)11-15(17)20/h4-9,11,16H,1-3,10H2
InChIKeyLPZOYEDOQPAHHF-UHFFFAOYSA-N
MW340.68 g/mol
LogP6.38
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine (PubChem CID 71176112) has the molecular formula C17H16Cl3N and a molecular weight of 340.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
PubChem CID71176112
Molecular FormulaC17H16Cl3N
Molecular Weight340.68 g/mol
Exact Mass339.03
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
SMILESClc1ccc(C2CCCCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3N/c18-13-6-4-12(5-7-13)16-3-1-2-10-21(16)17-9-8-14(19)11-15(17)20/h4-9,11,16H,1-3,10H2
InChIKeyLPZOYEDOQPAHHF-UHFFFAOYSA-N
XLogP6.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.68
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine (CID 71176112) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine is Clc1ccc(C2CCCCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
The InChIKey is LPZOYEDOQPAHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N/c18-13-6-4-12(5-7-13)16-3-1-2-10-21(16)17-9-8-14(19)11-15(17)20/h4-9,11,16H,1-3,10H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine has a molecular weight of 340.68 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine is sourced from PubChem (CID 71176112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).