(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one

C19H20FNO — CID 162351718

IUPAC(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
SMILESCC1(C)NC(=O)[C@@H](c2ccccc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-19(2)17(14-8-10-15(20)11-9-14)12-16(18(22)21-19)13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyFSXBQZKSTALWBP-SJORKVTESA-N
MW297.37 g/mol
LogP3.99
Rot. Bonds2

About (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one

(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one (PubChem CID 162351718) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
PubChem CID162351718
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
SMILESCC1(C)NC(=O)[C@@H](c2ccccc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-19(2)17(14-8-10-15(20)11-9-14)12-16(18(22)21-19)13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3,(H,21,22)/t16-,17+/m1/s1
InChIKeyFSXBQZKSTALWBP-SJORKVTESA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-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

(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 162351735
(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one
CID 162351709
(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one
CID 162351732
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
CID 11137917
(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one
CID 162416769
3-bromo-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 19037743
4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
CID 3058152
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582051
(4R,7S)-7-(4-fluorophenyl)-4-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645073
(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839975
(2R,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839973

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one?
The IUPAC name of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one (CID 162351718) is (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one.
What is the SMILES notation for (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one?
The canonical SMILES for (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one is CC1(C)NC(=O)[C@@H](c2ccccc2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one?
The InChIKey is FSXBQZKSTALWBP-SJORKVTESA-N. The full InChI is InChI=1S/C19H20FNO/c1-19(2)17(14-8-10-15(20)11-9-14)12-16(18(22)21-19)13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one?
(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one has a molecular weight of 297.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one is sourced from PubChem (CID 162351718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).