4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine

C23H22ClFN2 — CID 57196190

IUPAC4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(CN3CCC(c4ccc(Cl)cc4)CC3)ccn2)cc1
InChIInChI=1S/C23H22ClFN2/c24-21-5-1-18(2-6-21)19-10-13-27(14-11-19)16-17-9-12-26-23(15-17)20-3-7-22(25)8-4-20/h1-9,12,15,19H,10-11,13-14,16H2
InChIKeyAYEPNWDACQYQCA-UHFFFAOYSA-N
MW380.89 g/mol
LogP5.92
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine

4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine (PubChem CID 57196190) has the molecular formula C23H22ClFN2 and a molecular weight of 380.89 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
PubChem CID57196190
Molecular FormulaC23H22ClFN2
Molecular Weight380.89 g/mol
Exact Mass380.15
IUPAC Name4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(CN3CCC(c4ccc(Cl)cc4)CC3)ccn2)cc1
InChIInChI=1S/C23H22ClFN2/c24-21-5-1-18(2-6-21)19-10-13-27(14-11-19)16-17-9-12-26-23(15-17)20-3-7-22(25)8-4-20/h1-9,12,15,19H,10-11,13-14,16H2
InChIKeyAYEPNWDACQYQCA-UHFFFAOYSA-N
XLogP5.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.89
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine 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-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
The IUPAC name of 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine (CID 57196190) is 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
The canonical SMILES for 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine is Fc1ccc(-c2cc(CN3CCC(c4ccc(Cl)cc4)CC3)ccn2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
The InChIKey is AYEPNWDACQYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2/c24-21-5-1-18(2-6-21)19-10-13-27(14-11-19)16-17-9-12-26-23(15-17)20-3-7-22(25)8-4-20/h1-9,12,15,19H,10-11,13-14,16H2.
What are the key properties of 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine?
4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine has a molecular weight of 380.89 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-2-(4-fluorophenyl)pyridine is sourced from PubChem (CID 57196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).