2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone

C21H23ClFNO — CID 10316441

IUPAC2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2
InChIKeyIHZMBRPMQIFTMC-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.01
Rot. Bonds6

About 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone

2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 10316441) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone
PubChem CID10316441
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC Name2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2
InChIKeyIHZMBRPMQIFTMC-UHFFFAOYSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone 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 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone (CID 10316441) is 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone is O=C(CC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is IHZMBRPMQIFTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2.
What are the key properties of 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone?
2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 359.87 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 10316441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).