1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

C12H20F3NO2 — CID 176833255

IUPAC1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCOC1CCC(C(F)(F)F)NC1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(17)9-7(18-4)5-6-8(16-9)12(13,14)15/h7-9,16H,5-6H2,1-4H3
InChIKeyAKUACVCVOWQIMK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.30
Rot. Bonds2

About 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833255) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176833255
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCOC1CCC(C(F)(F)F)NC1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(17)9-7(18-4)5-6-8(16-9)12(13,14)15/h7-9,16H,5-6H2,1-4H3
InChIKeyAKUACVCVOWQIMK-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176832488
2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-oxazolidin-2-yl]propan-1-one
CID 176832815
1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833571
2,2-dimethyl-1-[5-(trifluoromethyl)piperazin-2-yl]propan-1-one
CID 176832490
[(2R,5R,6R)-5-methoxy-6-methylpiperidin-2-yl]methyl 2,2-dimethylpropanoate
CID 11579627
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655
3-[(2R,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid
CID 125424409
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
CID 136575931
2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
CID 176834152
1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane
CID 173379726
(2S,3S)-3-methoxypyrrolidine-2-carboxamide
CID 58204442

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 176833255) is 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is COC1CCC(C(F)(F)F)NC1C(=O)C(C)(C)C.
What is the InChIKey of 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AKUACVCVOWQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,3)10(17)9-7(18-4)5-6-8(16-9)12(13,14)15/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).