2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline

C21H20F3N3O — CID 44581710

IUPAC2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline
SMILESCN1CCC(Oc2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C21H20F3N3O/c1-27-9-7-16(8-10-27)28-19-13-25-18-12-15(21(22,23)24)11-17(20(18)26-19)14-5-3-2-4-6-14/h2-6,11-13,16H,7-10H2,1H3
InChIKeyZYBUEDQNBAWSBZ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.79
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline

2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline (PubChem CID 44581710) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline
PubChem CID44581710
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline
SMILESCN1CCC(Oc2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C21H20F3N3O/c1-27-9-7-16(8-10-27)28-19-13-25-18-12-15(21(22,23)24)11-17(20(18)26-19)14-5-3-2-4-6-14/h2-6,11-13,16H,7-10H2,1H3
InChIKeyZYBUEDQNBAWSBZ-UHFFFAOYSA-N
XLogP4.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline (CID 44581710) is 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline is CN1CCC(Oc2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline?
The InChIKey is ZYBUEDQNBAWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-27-9-7-16(8-10-27)28-19-13-25-18-12-15(21(22,23)24)11-17(20(18)26-19)14-5-3-2-4-6-14/h2-6,11-13,16H,7-10H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline?
2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline has a molecular weight of 387.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-8-phenyl-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 44581710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).