cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone

C12H19F3N2O — CID 167011796

IUPACcyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCNC[C@H]1C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)10-8-16-6-7-17(10)11(18)9-4-2-1-3-5-9/h9-10,16H,1-8H2/t10-/m0/s1
InChIKeyGJYUYKBNZDVQSE-JTQLQIEISA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds1

About cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone

cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone (PubChem CID 167011796) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
PubChem CID167011796
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Namecyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCNC[C@H]1C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)10-8-16-6-7-17(10)11(18)9-4-2-1-3-5-9/h9-10,16H,1-8H2/t10-/m0/s1
InChIKeyGJYUYKBNZDVQSE-JTQLQIEISA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251
1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide
CID 115101285

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone (CID 167011796) is cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCNC[C@H]1C(F)(F)F.
What is the InChIKey of cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone?
The InChIKey is GJYUYKBNZDVQSE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)10-8-16-6-7-17(10)11(18)9-4-2-1-3-5-9/h9-10,16H,1-8H2/t10-/m0/s1.
What are the key properties of cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone?
cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone has a molecular weight of 264.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167011796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).