3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one

C12H12F3NO2 — CID 117014136

IUPAC3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1C(O)CCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-4-1-2-5-9(8)16-7-3-6-10(17)11(16)18/h1-2,4-5,10,17H,3,6-7H2
InChIKeyUSYRUTSEIAAVGS-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.19
Rot. Bonds1

About 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one

3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 117014136) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID117014136
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
SMILESO=C1C(O)CCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)8-4-1-2-5-9(8)16-7-3-6-10(17)11(16)18/h1-2,4-5,10,17H,3,6-7H2
InChIKeyUSYRUTSEIAAVGS-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 97300292
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione
CID 117013796
(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 125142953
(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 124618540
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531
17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 4158959
(15S,19R)-17-[2-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1047514
2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
CID 117028559
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
N-cycloheptyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188564
4-(4-methylpiperidine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188524

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one (CID 117014136) is 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one is O=C1C(O)CCCN1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is USYRUTSEIAAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)8-4-1-2-5-9(8)16-7-3-6-10(17)11(16)18/h1-2,4-5,10,17H,3,6-7H2.
What are the key properties of 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one?
3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 117014136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).