1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

C13H22F3NO — CID 176832930

IUPAC1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(C(=O)C(C)(C)C)NC(C)C1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-7-6-9(11(18)12(3,4)5)17-8(2)10(7)13(14,15)16/h7-10,17H,6H2,1-5H3
InChIKeyPOIUDNRKQYDXQV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.17
Rot. Bonds1

About 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176832930) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176832930
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(C(=O)C(C)(C)C)NC(C)C1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-7-6-9(11(18)12(3,4)5)17-8(2)10(7)13(14,15)16/h7-10,17H,6H2,1-5H3
InChIKeyPOIUDNRKQYDXQV-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Tert-butylamino)-4,4-dimethyl-1-(1,2,2-trifluoro-1-methylspiro[2.5]octan-6-yl)pentan-3-one
CID 21306393
2-(Tert-butylamino)-4,4-dimethyl-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
CID 22973027
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
1-[1-(Ethylamino)-4-fluorocyclohexyl]-2,2-dimethylbutan-1-one
CID 68345380
2-(Ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
CID 89317351
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 121368340
1-[3-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 121371166
1-[5-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 140418735
Ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 144773722
(2S,3R)-2-methyl-3-(trifluoromethyl)-8-azaspiro[4.5]decan-4-one
CID 154995486
2-(2,2-Difluoropropylamino)-4-heptylundecan-3-one
CID 155068634
2-Tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-one
CID 160149623

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 176832930) is 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is CC1CC(C(=O)C(C)(C)C)NC(C)C1C(F)(F)F.
What is the InChIKey of 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is POIUDNRKQYDXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-7-6-9(11(18)12(3,4)5)17-8(2)10(7)13(14,15)16/h7-10,17H,6H2,1-5H3.
What are the key properties of 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-5-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176832930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).