(4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one

C11H12FNO2 — CID 71551908

IUPAC(4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)[C@@H](O)CN1
InChIInChI=1S/C11H12FNO2/c12-8-3-1-7(2-4-8)9-5-11(15)13-6-10(9)14/h1-4,9-10,14H,5-6H2,(H,13,15)/t9-,10-/m0/s1
InChIKeyGKITZAPWENCDNF-UWVGGRQHSA-N
MW209.22 g/mol
LogP0.79
Rot. Bonds1

About (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one

(4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one (PubChem CID 71551908) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one
PubChem CID71551908
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)[C@@H](O)CN1
InChIInChI=1S/C11H12FNO2/c12-8-3-1-7(2-4-8)9-5-11(15)13-6-10(9)14/h1-4,9-10,14H,5-6H2,(H,13,15)/t9-,10-/m0/s1
InChIKeyGKITZAPWENCDNF-UWVGGRQHSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(4-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493753
5-[2-(3-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493754
5-[2-(2-Fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493755
3-Hydroxy-5-[2-(2-methylphenyl)ethyl]piperidin-2-one
CID 121493750
3-Hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one
CID 121493751
3-Hydroxy-5-[2-(4-methylphenyl)ethyl]piperidin-2-one
CID 121493752
4-Morpholinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062956
N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-(2,3,4-trifluorophenyl)acetamide
CID 70784817
3-(2-fluorophenyl)-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)propanamide
CID 76147773
cis-N-[3-(2-fluorophenyl)propyl]-3-hydroxycyclohexanecarboxamide
CID 91772167
cis-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-3-hydroxycyclohexanecarboxamide
CID 91786829
N-[(S)-2-hydroxy-3-phenylpropyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 98787278

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one?
The IUPAC name of (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one (CID 71551908) is (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one.
What is the SMILES notation for (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one?
The canonical SMILES for (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one is O=C1C[C@@H](c2ccc(F)cc2)[C@@H](O)CN1.
What is the InChIKey of (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one?
The InChIKey is GKITZAPWENCDNF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-8-3-1-7(2-4-8)9-5-11(15)13-6-10(9)14/h1-4,9-10,14H,5-6H2,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one?
(4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(4-fluorophenyl)-5-hydroxypiperidin-2-one is sourced from PubChem (CID 71551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).