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

C12H21F3N2S — CID 116627404

IUPAC2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C12H21F3N2S/c1-9-7-17(5-6-18-12(13,14)15)11(2,8-16-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyKMWQICQUUALUKR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.70
Rot. Bonds4

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

2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627404) has the molecular formula C12H21F3N2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627404
Molecular FormulaC12H21F3N2S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1
InChIInChI=1S/C12H21F3N2S/c1-9-7-17(5-6-18-12(13,14)15)11(2,8-16-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyKMWQICQUUALUKR-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627404) is 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC1CN(CCSC(F)(F)F)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is KMWQICQUUALUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2S/c1-9-7-17(5-6-18-12(13,14)15)11(2,8-16-9)10-3-4-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 282.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).