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

C15H27F3N2S — CID 116627570

IUPAC5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CNC(C2CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C15H27F3N2S/c1-2-13-10-19-14(12-6-4-3-5-7-12)11-20(13)8-9-21-15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyAQNHUXPGDJUUCI-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.87
Rot. Bonds5

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

5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627570) has the molecular formula C15H27F3N2S and a molecular weight of 324.46 g/mol. Its IUPAC name is 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627570
Molecular FormulaC15H27F3N2S
Molecular Weight324.46 g/mol
Exact Mass324.18
IUPAC Name5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CNC(C2CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C15H27F3N2S/c1-2-13-10-19-14(12-6-4-3-5-7-12)11-20(13)8-9-21-15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyAQNHUXPGDJUUCI-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627570) is 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CCC1CNC(C2CCCCC2)CN1CCSC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is AQNHUXPGDJUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2S/c1-2-13-10-19-14(12-6-4-3-5-7-12)11-20(13)8-9-21-15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
5-cyclohexyl-2-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 5-cyclohexyl-2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).