1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone

C14H23F3N2O — CID 43434521

IUPAC1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O/c1-10(20)19-8-6-11(7-9-19)18-13-5-3-2-4-12(13)14(15,16)17/h11-13,18H,2-9H2,1H3
InChIKeyGBVUKFZYQGSASR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.71
Rot. Bonds2

About 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone

1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone (PubChem CID 43434521) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone
PubChem CID43434521
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O/c1-10(20)19-8-6-11(7-9-19)18-13-5-3-2-4-12(13)14(15,16)17/h11-13,18H,2-9H2,1H3
InChIKeyGBVUKFZYQGSASR-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
2,2,2-trifluoro-N-(4-methylcyclohexyl)acetamide
CID 13811892
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
1-{1,4-Diazaspiro[5.5]undecan-1-yl}-2,2,2-trifluoroethan-1-one hydrochloride
CID 122156993
2,2,2-Trifluoro-1-[3-(piperidin-2-yl)piperidin-1-yl]ethan-1-one hydrochloride
CID 122157005
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;hydrochloride
CID 2907320
N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
CID 86793835
2,2,2-Trifluoro-N-[2-(2,2,6,6-tetramethyl-piperidin-4-yl)-ethyl]-acetamide
CID 622122
Stk085974
CID 885926
N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 10683989

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone (CID 43434521) is 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone?
The InChIKey is GBVUKFZYQGSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-10(20)19-8-6-11(7-9-19)18-13-5-3-2-4-12(13)14(15,16)17/h11-13,18H,2-9H2,1H3.
What are the key properties of 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone?
1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43434521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).