4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one

C21H23ClFNO2 — CID 23054423

IUPAC4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one
SMILESO=C(c1ccc(F)cc1)C(CC(O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C21H23ClFNO2/c22-17-8-4-15(5-9-17)20(25)14-19(24-12-2-1-3-13-24)21(26)16-6-10-18(23)11-7-16/h4-11,19-20,25H,1-3,12-14H2
InChIKeyVSFPFESTHLHMLW-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.64
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one

4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one (PubChem CID 23054423) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one
PubChem CID23054423
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one
SMILESO=C(c1ccc(F)cc1)C(CC(O)c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C21H23ClFNO2/c22-17-8-4-15(5-9-17)20(25)14-19(24-12-2-1-3-13-24)21(26)16-6-10-18(23)11-7-16/h4-11,19-20,25H,1-3,12-14H2
InChIKeyVSFPFESTHLHMLW-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid;hydrate
CID 21152996
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 38535028
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072
(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one
CID 97355460
3-(4-fluorophenyl)-3-piperidin-1-ylpropanamide
CID 70303350
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one (CID 23054423) is 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one is O=C(c1ccc(F)cc1)C(CC(O)c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one?
The InChIKey is VSFPFESTHLHMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-17-8-4-15(5-9-17)20(25)14-19(24-12-2-1-3-13-24)21(26)16-6-10-18(23)11-7-16/h4-11,19-20,25H,1-3,12-14H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one?
4-(4-chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one has a molecular weight of 375.87 g/mol, XLogP of 4.64, 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)-4-hydroxy-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 23054423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).