6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one

C19H20FNO2 — CID 66849885

IUPAC6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESO=C1CCCC(c2ccc(F)cc2)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-16-11-9-15(10-12-16)17-7-4-8-19(23)21(17)18(13-22)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,22H,4,7-8,13H2/t17?,18-/m1/s1
InChIKeyVWCNQAZREMAYSO-QRWMCTBCSA-N
MW313.37 g/mol
LogP3.61
Rot. Bonds4

About 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one

6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one (PubChem CID 66849885) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one
PubChem CID66849885
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESO=C1CCCC(c2ccc(F)cc2)N1[C@H](CO)c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-16-11-9-15(10-12-16)17-7-4-8-19(23)21(17)18(13-22)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,22H,4,7-8,13H2/t17?,18-/m1/s1
InChIKeyVWCNQAZREMAYSO-QRWMCTBCSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 54728530
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145991916
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145979181
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
(3-fluoro-2-methylphenyl)-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 44414344
2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 44414545
N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-3-piperidinecarboxamide
CID 45238009
1-[1-(3,4-Difluorobenzyl)-4-piperidyl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
CID 91912881
(3-Hydroxy-3-((S)-1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-YL)azetidin-1-YL)(2,3,4-trifluorophenyl)methanone
CID 73672643
(3,5-difluorophenyl)-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
CID 92445250
(4S)-3,3-difluoro-1-[(1R)-2-hydroxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 10638141
(2S)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 15306469

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one (CID 66849885) is 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one is O=C1CCCC(c2ccc(F)cc2)N1[C@H](CO)c1ccccc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The InChIKey is VWCNQAZREMAYSO-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-16-11-9-15(10-12-16)17-7-4-8-19(23)21(17)18(13-22)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,22H,4,7-8,13H2/t17?,18-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one?
6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one has a molecular weight of 313.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 66849885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).