2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C12H23F3N2S — CID 116627380

IUPAC2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CNC(C(C)C)CN1CCSC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-4-10-7-16-11(9(2)3)8-17(10)5-6-18-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyOSJOYZBRTVQFLA-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.95
Rot. Bonds5

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

2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627380) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627380
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1CNC(C(C)C)CN1CCSC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-4-10-7-16-11(9(2)3)8-17(10)5-6-18-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyOSJOYZBRTVQFLA-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627380) is 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CCC1CNC(C(C)C)CN1CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is OSJOYZBRTVQFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-4-10-7-16-11(9(2)3)8-17(10)5-6-18-12(13,14)15/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 284.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).