1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one

C8H12F3NO2 — CID 10846167

IUPAC1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one
SMILESCN1CCCC(C(O)C(F)(F)F)C1=O
InChIInChI=1S/C8H12F3NO2/c1-12-4-2-3-5(7(12)14)6(13)8(9,10)11/h5-6,13H,2-4H2,1H3
InChIKeyFIJYCZMUBNYTOE-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.78
Rot. Bonds1

About 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one

1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one (PubChem CID 10846167) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one
PubChem CID10846167
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one
SMILESCN1CCCC(C(O)C(F)(F)F)C1=O
InChIInChI=1S/C8H12F3NO2/c1-12-4-2-3-5(7(12)14)6(13)8(9,10)11/h5-6,13H,2-4H2,1H3
InChIKeyFIJYCZMUBNYTOE-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-1-methylpiperidin-2-one
CID 16719427
1-(3-Acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 90951058
4,4,4-Trifluoro-3-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 118902089
4,4,4-Trifluoro-3-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
CID 118906981
3-methyl-1-[(3S)-6,6,6-trifluoro-5-hydroxyhexan-3-yl]piperidin-2-one
CID 153913967
3-(1-Hydroxy-2,2,2-trifluoroethyl)-1-(trifluoroacetyl)piperidine
CID 71300090
2,2,2-trifluoro-1-[(3S)-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 95566438
2,2,2-trifluoro-1-[(3R)-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 95566439
2,2,2-trifluoro-1-[(3S)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 95566440
2,2,2-trifluoro-1-[(3R)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 95566441
(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
CID 101153761
(2S,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
CID 101153762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one (CID 10846167) is 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one is CN1CCCC(C(O)C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one?
The InChIKey is FIJYCZMUBNYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-12-4-2-3-5(7(12)14)6(13)8(9,10)11/h5-6,13H,2-4H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one?
1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one has a molecular weight of 211.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 10846167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).