(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one

C21H24FNO2 — CID 123394045

IUPAC(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one
SMILESC[C@H](c1ccccc1)N1CC[C@@](CCO)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C21H24FNO2/c1-16(17-5-3-2-4-6-17)23-13-11-21(12-14-24,15-20(23)25)18-7-9-19(22)10-8-18/h2-10,16,24H,11-15H2,1H3/t16-,21+/m1/s1
InChIKeyVDKDYUQLOATTCE-IERDGZPVSA-N
MW341.43 g/mol
LogP3.83
Rot. Bonds5

About (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one

(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one (PubChem CID 123394045) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one
PubChem CID123394045
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one
SMILESC[C@H](c1ccccc1)N1CC[C@@](CCO)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C21H24FNO2/c1-16(17-5-3-2-4-6-17)23-13-11-21(12-14-24,15-20(23)25)18-7-9-19(22)10-8-18/h2-10,16,24H,11-15H2,1H3/t16-,21+/m1/s1
InChIKeyVDKDYUQLOATTCE-IERDGZPVSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 13772099
(1-{2-[4-(Diphenylmethyl)piperazin-1-Yl]-2-Oxoethyl}cyclopentyl)acetic Acid
CID 2809698
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882
{3-(2-Methylbenzyl)-1-[(2,3,6-trifluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723988
{3-(2,4-Difluorobenzyl)-1-[(3-fluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723237
N-((2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl)-N-methylcyclohexanecarboxamide
CID 51360903
{3-(2-Fluorobenzyl)-1-[(3'-methyl-2-biphenylyl)carbonyl]-3-piperidinyl}methanol
CID 45187271
1-[2-Benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone
CID 91924993
[1-(2-Fluorobenzoyl)-3-(2-fluorobenzyl)-3-piperidinyl]methanol
CID 45176446
{3-(2-Fluorobenzyl)-1-[(2'-fluoro-2-biphenylyl)carbonyl]-3-piperidinyl}methanol
CID 45186384
2-{1-[(Dimethylamino)(2-fluorophenyl)acetyl]-4-piperidinyl}ethanol
CID 72841619
4-(4-Fluorophenyl)-1-(1-phenylethyl)piperidin-2-one
CID 22603711

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one?
The IUPAC name of (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one (CID 123394045) is (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one is C[C@H](c1ccccc1)N1CC[C@@](CCO)(c2ccc(F)cc2)CC1=O.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one?
The InChIKey is VDKDYUQLOATTCE-IERDGZPVSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-16(17-5-3-2-4-6-17)23-13-11-21(12-14-24,15-20(23)25)18-7-9-19(22)10-8-18/h2-10,16,24H,11-15H2,1H3/t16-,21+/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one?
(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one has a molecular weight of 341.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 123394045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).