3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine

C17H16Cl3N — CID 79439665

IUPAC3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine
SMILESClc1cc(Cl)cc(C2CCNCC2c2ccccc2Cl)c1
InChIInChI=1S/C17H16Cl3N/c18-12-7-11(8-13(19)9-12)14-5-6-21-10-16(14)15-3-1-2-4-17(15)20/h1-4,7-9,14,16,21H,5-6,10H2
InChIKeyANVOBGHUSLLHLN-UHFFFAOYSA-N
MW340.68 g/mol
LogP5.51
Rot. Bonds2

About 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine

3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine (PubChem CID 79439665) has the molecular formula C17H16Cl3N and a molecular weight of 340.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine
PubChem CID79439665
Molecular FormulaC17H16Cl3N
Molecular Weight340.68 g/mol
Exact Mass339.03
IUPAC Name3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine
SMILESClc1cc(Cl)cc(C2CCNCC2c2ccccc2Cl)c1
InChIInChI=1S/C17H16Cl3N/c18-12-7-11(8-13(19)9-12)14-5-6-21-10-16(14)15-3-1-2-4-17(15)20/h1-4,7-9,14,16,21H,5-6,10H2
InChIKeyANVOBGHUSLLHLN-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.68
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine?
The IUPAC name of 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine (CID 79439665) is 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine?
The canonical SMILES for 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine is Clc1cc(Cl)cc(C2CCNCC2c2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine?
The InChIKey is ANVOBGHUSLLHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N/c18-12-7-11(8-13(19)9-12)14-5-6-21-10-16(14)15-3-1-2-4-17(15)20/h1-4,7-9,14,16,21H,5-6,10H2.
What are the key properties of 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine?
3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine has a molecular weight of 340.68 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine is sourced from PubChem (CID 79439665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).