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

C13H23F3N2S — CID 116627376

IUPAC3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESFC(F)(F)SCCN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)19-9-8-18-7-6-17-12(10-18)11-4-2-1-3-5-11/h11-12,17H,1-10H2
InChIKeyQPTWNGMPCUSAQX-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.09
Rot. Bonds4

About 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627376) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627376
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESFC(F)(F)SCCN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C13H23F3N2S/c14-13(15,16)19-9-8-18-7-6-17-12(10-18)11-4-2-1-3-5-11/h11-12,17H,1-10H2
InChIKeyQPTWNGMPCUSAQX-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627376) is 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is FC(F)(F)SCCN1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is QPTWNGMPCUSAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c14-13(15,16)19-9-8-18-7-6-17-12(10-18)11-4-2-1-3-5-11/h11-12,17H,1-10H2.
What are the key properties of 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 296.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).