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

C14H25F3N2S — CID 116627569

IUPAC5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CNC(C2CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-11-9-18-13(12-5-3-2-4-6-12)10-19(11)7-8-20-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyXTROHHOSKFTOQF-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.48
Rot. Bonds4

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

5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627569) has the molecular formula C14H25F3N2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627569
Molecular FormulaC14H25F3N2S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC Name5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CNC(C2CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-11-9-18-13(12-5-3-2-4-6-12)10-19(11)7-8-20-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyXTROHHOSKFTOQF-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627569) is 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC1CNC(C2CCCCC2)CN1CCSC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is XTROHHOSKFTOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2S/c1-11-9-18-13(12-5-3-2-4-6-12)10-19(11)7-8-20-14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 310.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).