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

C13H23F3N2S — CID 116627531

IUPAC5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CNC(C)(C2CC2)CN1CCSC(F)(F)F
InChIInChI=1S/C13H23F3N2S/c1-3-11-8-17-12(2,10-4-5-10)9-18(11)6-7-19-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyFTRCTFQJLMQJOS-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.09
Rot. Bonds5

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

5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627531) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627531
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CNC(C)(C2CC2)CN1CCSC(F)(F)F
InChIInChI=1S/C13H23F3N2S/c1-3-11-8-17-12(2,10-4-5-10)9-18(11)6-7-19-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyFTRCTFQJLMQJOS-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627531) is 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CCC1CNC(C)(C2CC2)CN1CCSC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is FTRCTFQJLMQJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-3-11-8-17-12(2,10-4-5-10)9-18(11)6-7-19-13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 296.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).