5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C12H23F3N2S — CID 116627433

IUPAC5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCCC1CNC(C)(C)CN1CCSC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-4-5-10-8-16-11(2,3)9-17(10)6-7-18-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyKNKYRAOWPCCFNQ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.09
Rot. Bonds5

About 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627433) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627433
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCCC1CNC(C)(C)CN1CCSC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-4-5-10-8-16-11(2,3)9-17(10)6-7-18-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyKNKYRAOWPCCFNQ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butoxyethyl)-5,5-dimethyl-2-propylpiperazine
CID 64840075
5,5-dimethyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64837941
(5,5-dimethyl-1-propylpiperazin-2-yl)methanol
CID 82241015
1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837940
2-ethyl-5,5-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432730
1-[(4-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64839101
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733
1-[2-(3-bromophenoxy)ethyl]-5,5-dimethyl-2-propylpiperazine
CID 64837750
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837942
1-(2-tert-butylsulfonylethyl)-5-ethyl-5-methyl-2-propylpiperazine
CID 106733118
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627433) is 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CCCC1CNC(C)(C)CN1CCSC(F)(F)F.
What is the InChIKey of 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is KNKYRAOWPCCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-4-5-10-8-16-11(2,3)9-17(10)6-7-18-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 284.39 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 5,5-dimethyl-2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).