2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C15H27F3N2S — CID 116627452

IUPAC2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CN(CCSC(F)(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-2-13-11-20(8-9-21-15(16,17)18)14(10-19-13)12-6-4-3-5-7-12/h12-14,19H,2-11H2,1H3
InChIKeyJRHHMOVGHLOYRV-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.87
Rot. Bonds5

About 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627452) has the molecular formula C15H27F3N2S and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627452
Molecular FormulaC15H27F3N2S
Molecular Weight324.46 g/mol
Exact Mass324.18
IUPAC Name2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CN(CCSC(F)(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-2-13-11-20(8-9-21-15(16,17)18)14(10-19-13)12-6-4-3-5-7-12/h12-14,19H,2-11H2,1H3
InChIKeyJRHHMOVGHLOYRV-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
CID 67189724
N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
1-[4-[4-(Trifluoromethyl)piperazin-1-yl]cyclohexyl]ethanethiol
CID 167163259
N-ethyl-2,2,2-trifluoro-1-(4-fluorocyclohexyl)-N-(5-methylpiperidin-3-yl)sulfanylethanamine
CID 169933618
[1-Thiomorpholin-4-yl-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64753677
[1-(3-Methylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755507
[1-(2,6-Dimethylthiomorpholin-4-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755693
[1-(3-Methylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757611
[1-(2,6-Dimethylthiomorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757811
3-Cyclohexyl-1-(2,2-difluoroethyl)piperazine
CID 64832480
3-Cyclohexyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64832688

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627452) is 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CCC1CN(CCSC(F)(F)F)C(C2CCCCC2)CN1.
What is the InChIKey of 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is JRHHMOVGHLOYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2S/c1-2-13-11-20(8-9-21-15(16,17)18)14(10-19-13)12-6-4-3-5-7-12/h12-14,19H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 324.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).