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

C15H27F3N2S — CID 116627438

IUPAC2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1(C)CN(CCSC(F)(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-14(2)11-20(8-9-21-15(16,17)18)13(10-19-14)12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3
InChIKeyDEBQDXOQAPVFOG-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.87
Rot. Bonds4

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

2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627438) has the molecular formula C15H27F3N2S and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627438
Molecular FormulaC15H27F3N2S
Molecular Weight324.46 g/mol
Exact Mass324.18
IUPAC Name2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1(C)CN(CCSC(F)(F)F)C(C2CCCCC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-14(2)11-20(8-9-21-15(16,17)18)13(10-19-14)12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3
InChIKeyDEBQDXOQAPVFOG-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627438) is 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC1(C)CN(CCSC(F)(F)F)C(C2CCCCC2)CN1.
What is the InChIKey of 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is DEBQDXOQAPVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2S/c1-14(2)11-20(8-9-21-15(16,17)18)13(10-19-14)12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 324.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).