2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C9H17F3N2S — CID 116616936

IUPAC2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CNCC(C)N1CCSC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-7-5-13-6-8(2)14(7)3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyGLLSNGFPUVDOOS-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.92
Rot. Bonds3

About 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116616936) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116616936
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CNCC(C)N1CCSC(F)(F)F
InChIInChI=1S/C9H17F3N2S/c1-7-5-13-6-8(2)14(7)3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyGLLSNGFPUVDOOS-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
2,6-dimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine
CID 144741571
3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116616935
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
CID 130616499
(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine
CID 130652432
1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
CID 103815489
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 63911805
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 116616987
5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
CID 106433160

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116616936) is 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC1CNCC(C)N1CCSC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is GLLSNGFPUVDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-7-5-13-6-8(2)14(7)3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 242.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116616936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).