4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one

C21H23ClFNO2 — CID 22074128

IUPAC4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(c1ccc(F)cc1)C(CCc1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C21H23ClFNO2/c22-17-6-1-15(2-7-17)3-10-20(24-13-11-19(25)12-14-24)21(26)16-4-8-18(23)9-5-16/h1-2,4-9,19-20,25H,3,10-14H2
InChIKeyQILGHZDUWFPLRI-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.12
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one

4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 22074128) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID22074128
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESO=C(c1ccc(F)cc1)C(CCc1ccc(Cl)cc1)N1CCC(O)CC1
InChIInChI=1S/C21H23ClFNO2/c22-17-6-1-15(2-7-17)3-10-20(24-13-11-19(25)12-14-24)21(26)16-4-8-18(23)9-5-16/h1-2,4-9,19-20,25H,3,10-14H2
InChIKeyQILGHZDUWFPLRI-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-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-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one (CID 22074128) is 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one is O=C(c1ccc(F)cc1)C(CCc1ccc(Cl)cc1)N1CCC(O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is QILGHZDUWFPLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-17-6-1-15(2-7-17)3-10-20(24-13-11-19(25)12-14-24)21(26)16-4-8-18(23)9-5-16/h1-2,4-9,19-20,25H,3,10-14H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one?
4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 375.87 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 22074128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).