1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one

C13H22F3NO2 — CID 176833571

IUPAC1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(OC(F)(F)F)C(C)NC1C(=O)C(C)(C)C
InChIInChI=1S/C13H22F3NO2/c1-7-6-9(19-13(14,15)16)8(2)17-10(7)11(18)12(3,4)5/h7-10,17H,6H2,1-5H3
InChIKeyFDHHCDRTKNIMKN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.89
Rot. Bonds2

About 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one

1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833571) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176833571
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(OC(F)(F)F)C(C)NC1C(=O)C(C)(C)C
InChIInChI=1S/C13H22F3NO2/c1-7-6-9(19-13(14,15)16)8(2)17-10(7)11(18)12(3,4)5/h7-10,17H,6H2,1-5H3
InChIKeyFDHHCDRTKNIMKN-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
CID 176834152
1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one
CID 176833958
1-[3-methoxy-6-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833255
1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one
CID 176834143
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
CID 178126696
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824
1-(5-chloro-2-methyl-1,3-diazinan-4-yl)-2,2-dimethylpropan-1-one
CID 176832662
2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
CID 137347109
4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
CID 20643370
1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176832488
tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
CID 171795451

Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 176833571) is 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one is CC1CC(OC(F)(F)F)C(C)NC1C(=O)C(C)(C)C.
What is the InChIKey of 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is FDHHCDRTKNIMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-7-6-9(19-13(14,15)16)8(2)17-10(7)11(18)12(3,4)5/h7-10,17H,6H2,1-5H3.
What are the key properties of 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 281.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).