1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone

C10H16F3NO2 — CID 67401859

IUPAC1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-7(15)14-5-3-9(2,4-6-14)8(16)10(11,12)13/h8,16H,3-6H2,1-2H3
InChIKeyMUINQPPMSHVKLN-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds1

About 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone

1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 67401859) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID67401859
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-7(15)14-5-3-9(2,4-6-14)8(16)10(11,12)13/h8,16H,3-6H2,1-2H3
InChIKeyMUINQPPMSHVKLN-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
1-(Trifluoroacetyl)-4-piperidinemethanol
CID 10330779
1-[3,3-Difluoro-4-(hydroxymethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 46177337
Tert-butyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 53404347
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450278
1-[4-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450280
2-Fluoro-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]ethanone
CID 58959826
[1-(1-Acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate
CID 67401738
Methyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate
CID 67401996
1-Acetyl-4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402290
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
Tert-butyl 4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate
CID 67402386

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (CID 67401859) is 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C)(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is MUINQPPMSHVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(15)14-5-3-9(2,4-6-14)8(16)10(11,12)13/h8,16H,3-6H2,1-2H3.
What are the key properties of 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 67401859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).