4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine

C17H16Cl2FN — CID 79433397

IUPAC4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
SMILESFc1cc(C2CCNCC2c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C17H16Cl2FN/c18-13-4-1-11(2-5-13)15-10-21-8-7-14(15)12-3-6-16(19)17(20)9-12/h1-6,9,14-15,21H,7-8,10H2
InChIKeyZDHDJXNKYYQITN-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.99
Rot. Bonds2

About 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine

4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine (PubChem CID 79433397) has the molecular formula C17H16Cl2FN and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
PubChem CID79433397
Molecular FormulaC17H16Cl2FN
Molecular Weight324.23 g/mol
Exact Mass323.06
IUPAC Name4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
SMILESFc1cc(C2CCNCC2c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C17H16Cl2FN/c18-13-4-1-11(2-5-13)15-10-21-8-7-14(15)12-3-6-16(19)17(20)9-12/h1-6,9,14-15,21H,7-8,10H2
InChIKeyZDHDJXNKYYQITN-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)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 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine (CID 79433397) is 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine is Fc1cc(C2CCNCC2c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine?
The InChIKey is ZDHDJXNKYYQITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN/c18-13-4-1-11(2-5-13)15-10-21-8-7-14(15)12-3-6-16(19)17(20)9-12/h1-6,9,14-15,21H,7-8,10H2.
What are the key properties of 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine?
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine has a molecular weight of 324.23 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine is sourced from PubChem (CID 79433397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).