1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one

C12H20F3NO2 — CID 113341327

IUPAC1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-4-10(2,3)9(17)16-7-5-11(18,6-8-16)12(13,14)15/h18H,4-8H2,1-3H3
InChIKeyQZXHZUDESIOHEF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds2

About 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 113341327) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID113341327
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-4-10(2,3)9(17)16-7-5-11(18,6-8-16)12(13,14)15/h18H,4-8H2,1-3H3
InChIKeyQZXHZUDESIOHEF-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
CID 127012089
1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162538
2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 112737767
N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
CID 112737624
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 113241011
2-bromo-1-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]butan-1-one
CID 112737673
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165762
(2S)-2-chloro-1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 129497688
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one (CID 113341327) is 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is QZXHZUDESIOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-4-10(2,3)9(17)16-7-5-11(18,6-8-16)12(13,14)15/h18H,4-8H2,1-3H3.
What are the key properties of 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one?
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 113341327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).