1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H22F3NO — CID 104750884

IUPAC1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(C(F)(F)F)C1)C1CCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-7-4-8-18(9-12)10-13(19)11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKeyJFUIDZZAVMYWHW-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone

1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 104750884) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID104750884
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(C(F)(F)F)C1)C1CCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-7-4-8-18(9-12)10-13(19)11-5-2-1-3-6-11/h11-12H,1-10H2
InChIKeyJFUIDZZAVMYWHW-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pimeclone
CID 197861
1,1,1-Trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one
CID 58236002
2-(Dimethylamino)-1-(4-fluorocyclohexyl)ethanone
CID 145817772
ethane;1-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]ethanone
CID 168976150
1-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]ethanone
CID 168976151
(2S)-1-(4,4-difluorocyclohexyl)-4-methyl-2-[propan-2-yl(propyl)amino]pentan-3-one
CID 171576079
2,2,2-Trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone
CID 175542368
2-methyl-1-[(2S,4R)-1-propan-2-yl-4-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176816765
2-Cyclohexyl-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 53513605
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62614922
2-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62615100
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62616859

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 104750884) is 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC(C(F)(F)F)C1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is JFUIDZZAVMYWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)12-7-4-8-18(9-12)10-13(19)11-5-2-1-3-6-11/h11-12H,1-10H2.
What are the key properties of 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 277.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 104750884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).