2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one

C15H24F3NO — CID 79852994

IUPAC2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
SMILESCC1(C)CCCC(CN2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C15H24F3NO/c1-14(2)7-3-5-11(13(14)20)9-19-8-4-6-12(10-19)15(16,17)18/h11-12H,3-10H2,1-2H3
InChIKeyDIVHZNMKDFUBMQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.66
Rot. Bonds2

About 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one

2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one (PubChem CID 79852994) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
PubChem CID79852994
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one
SMILESCC1(C)CCCC(CN2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C15H24F3NO/c1-14(2)7-3-5-11(13(14)20)9-19-8-4-6-12(10-19)15(16,17)18/h11-12H,3-10H2,1-2H3
InChIKeyDIVHZNMKDFUBMQ-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanone, dihydrochloride
CID 382272
2-((Dimethylamino)methyl)-6-(1-piperidinylmethyl)cyclohexanone
CID 382273
1-Methyl-3-(tridecafluorohexyl)piperidin-4-one
CID 21731585
(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone
CID 129181423
(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,3,4,5,6-pentafluorocyclohexyl)methanone
CID 129181425
2-Methyl-1-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]propan-1-one
CID 146551838
1-[5,5-Difluoro-7-(2-methylpropyl)-7-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 178545453
4-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 55094587
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106351
4-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611703
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611706
4-Propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611707

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one (CID 79852994) is 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one is CC1(C)CCCC(CN2CCCC(C(F)(F)F)C2)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
The InChIKey is DIVHZNMKDFUBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-14(2)7-3-5-11(13(14)20)9-19-8-4-6-12(10-19)15(16,17)18/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one?
2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one has a molecular weight of 291.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 79852994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).