2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline

C17H22N4O — CID 146046486

IUPAC2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(C4CCOCC4)CC3)cnc2c1
InChIInChI=1S/C17H22N4O/c1-2-4-16-15(3-1)18-13-17(19-16)21-9-7-20(8-10-21)14-5-11-22-12-6-14/h1-4,13-14H,5-12H2
InChIKeyYMIUYCASVPNRFS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.93
Rot. Bonds2

About 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline

2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline (PubChem CID 146046486) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
PubChem CID146046486
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(C4CCOCC4)CC3)cnc2c1
InChIInChI=1S/C17H22N4O/c1-2-4-16-15(3-1)18-13-17(19-16)21-9-7-20(8-10-21)14-5-11-22-12-6-14/h1-4,13-14H,5-12H2
InChIKeyYMIUYCASVPNRFS-UHFFFAOYSA-N
XLogP1.93
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
CID 172900616
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
morpholin-4-yl-(1-quinoxalin-2-ylazetidin-3-yl)methanone
CID 163353090
2-(4-cyclopropyl-2-methylpiperazin-1-yl)quinoxaline
CID 162634693
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline (CID 146046486) is 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline is c1ccc2nc(N3CCN(C4CCOCC4)CC3)cnc2c1.
What is the InChIKey of 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline?
The InChIKey is YMIUYCASVPNRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-4-16-15(3-1)18-13-17(19-16)21-9-7-20(8-10-21)14-5-11-22-12-6-14/h1-4,13-14H,5-12H2.
What are the key properties of 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline?
2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline has a molecular weight of 298.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 146046486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).