(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one

C17H23ClFNO — CID 59670872

IUPAC(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@@H](CN1CCC(F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClFNO/c1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-20-9-7-15(19)8-10-20/h3-6,12,15-16H,7-11H2,1-2H3/t16-/m0/s1
InChIKeyCTOIVTUMJIQJPE-INIZCTEOSA-N
MW311.83 g/mol
LogP4.08
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one

(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one (PubChem CID 59670872) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
PubChem CID59670872
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC Name(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@@H](CN1CCC(F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClFNO/c1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-20-9-7-15(19)8-10-20/h3-6,12,15-16H,7-11H2,1-2H3/t16-/m0/s1
InChIKeyCTOIVTUMJIQJPE-INIZCTEOSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
CID 70677822
(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 59670677
2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 71133249
(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
CID 67518927
(2S)-2-(4-chlorophenyl)-4-methyl-1-(3-methylazetidin-1-yl)pentan-3-one
CID 66767073
(2S)-2-(4-chlorophenyl)-4-methyl-1-(1,4-oxazepan-4-yl)pentan-3-one
CID 59670900
(2R)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-1-(4-acetylpiperazin-1-yl)-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-(4-chlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one
CID 161350586
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458342
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458138
2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
CID 143607109
3-(4-chlorophenyl)-4-(4,4-difluoropiperidin-1-yl)butan-2-one;ethane
CID 143606919

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one (CID 59670872) is (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one is CC(C)C(=O)[C@@H](CN1CCC(F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one?
The InChIKey is CTOIVTUMJIQJPE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-12(2)17(21)16(13-3-5-14(18)6-4-13)11-20-9-7-15(19)8-10-20/h3-6,12,15-16H,7-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one?
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one has a molecular weight of 311.83 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one is sourced from PubChem (CID 59670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).