2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride

C13H14ClF3N4 — CID 12686444

IUPAC2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride
SMILESCl.FC(F)(F)c1ccc2nc(N3CCNCC3)cnc2c1
InChIInChI=1S/C13H13F3N4.ClH/c14-13(15,16)9-1-2-10-11(7-9)18-8-12(19-10)20-5-3-17-4-6-20;/h1-2,7-8,17H,3-6H2;1H
InChIKeyOSIKUSMAQCERFJ-UHFFFAOYSA-N
MW318.73 g/mol
LogP2.48
Rot. Bonds1

About 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride

2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride (PubChem CID 12686444) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride
PubChem CID12686444
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride
SMILESCl.FC(F)(F)c1ccc2nc(N3CCNCC3)cnc2c1
InChIInChI=1S/C13H13F3N4.ClH/c14-13(15,16)9-1-2-10-11(7-9)18-8-12(19-10)20-5-3-17-4-6-20;/h1-2,7-8,17H,3-6H2;1H
InChIKeyOSIKUSMAQCERFJ-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride (CID 12686444) is 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride is Cl.FC(F)(F)c1ccc2nc(N3CCNCC3)cnc2c1.
What is the InChIKey of 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride?
The InChIKey is OSIKUSMAQCERFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4.ClH/c14-13(15,16)9-1-2-10-11(7-9)18-8-12(19-10)20-5-3-17-4-6-20;/h1-2,7-8,17H,3-6H2;1H.
What are the key properties of 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride?
2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride has a molecular weight of 318.73 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-(trifluoromethyl)quinoxaline;hydrochloride is sourced from PubChem (CID 12686444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).