1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

C9H12F3NO3 — CID 90951058

IUPAC1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)C1CN(C(=O)C(F)(F)F)CCC1O
InChIInChI=1S/C9H12F3NO3/c1-5(14)6-4-13(3-2-7(6)15)8(16)9(10,11)12/h6-7,15H,2-4H2,1H3
InChIKeyJBKROEHAEBYKKT-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.35
Rot. Bonds1

About 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone

1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 90951058) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID90951058
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)C1CN(C(=O)C(F)(F)F)CCC1O
InChIInChI=1S/C9H12F3NO3/c1-5(14)6-4-13(3-2-7(6)15)8(16)9(10,11)12/h6-7,15H,2-4H2,1H3
InChIKeyJBKROEHAEBYKKT-UHFFFAOYSA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-Methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-2-one
CID 10846167
(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
CID 101153761
(2S,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
CID 101153762
1-(3-Ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103209234
3-(2,2-Difluoroethoxy)-1-(3-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 103209235
1-(3-Ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310265
2-Propan-2-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 109899176
2,3-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 110021547
3-Methyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 112328981

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone (CID 90951058) is 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is CC(=O)C1CN(C(=O)C(F)(F)F)CCC1O.
What is the InChIKey of 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is JBKROEHAEBYKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c1-5(14)6-4-13(3-2-7(6)15)8(16)9(10,11)12/h6-7,15H,2-4H2,1H3.
What are the key properties of 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 239.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 90951058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).