4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one

C22H25ClFNO2 — CID 21324665

IUPAC4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(F)CCN1CCC(O)(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClFNO2/c23-19-8-6-17(7-9-19)16-22(27)11-14-25(15-12-22)13-10-20(24)21(26)18-4-2-1-3-5-18/h1-9,20,27H,10-16H2
InChIKeyBHAZTOBVXBPQMB-UHFFFAOYSA-N
MW389.90 g/mol
LogP4.32
Rot. Bonds7

About 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one

4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one (PubChem CID 21324665) has the molecular formula C22H25ClFNO2 and a molecular weight of 389.90 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one
PubChem CID21324665
Molecular FormulaC22H25ClFNO2
Molecular Weight389.90 g/mol
Exact Mass389.16
IUPAC Name4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(F)CCN1CCC(O)(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClFNO2/c23-19-8-6-17(7-9-19)16-22(27)11-14-25(15-12-22)13-10-20(24)21(26)18-4-2-1-3-5-18/h1-9,20,27H,10-16H2
InChIKeyBHAZTOBVXBPQMB-UHFFFAOYSA-N
XLogP4.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one 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)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one (CID 21324665) is 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one is O=C(c1ccccc1)C(F)CCN1CCC(O)(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one?
The InChIKey is BHAZTOBVXBPQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFNO2/c23-19-8-6-17(7-9-19)16-22(27)11-14-25(15-12-22)13-10-20(24)21(26)18-4-2-1-3-5-18/h1-9,20,27H,10-16H2.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one?
4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one has a molecular weight of 389.90 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one is sourced from PubChem (CID 21324665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).