6-(4-methylpiperazin-1-yl)quinoxaline

C13H16N4 — CID 1491639

IUPAC6-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2ccc3nccnc3c2)CC1
InChIInChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)11-2-3-12-13(10-11)15-5-4-14-12/h2-5,10H,6-9H2,1H3
InChIKeyNSSDPEMRBJPBTO-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.38
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)quinoxaline

6-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 1491639) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID1491639
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2ccc3nccnc3c2)CC1
InChIInChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)11-2-3-12-13(10-11)15-5-4-14-12/h2-5,10H,6-9H2,1H3
InChIKeyNSSDPEMRBJPBTO-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 6-(4-methylpiperazin-1-yl)quinoxaline (CID 1491639) is 6-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2ccc3nccnc3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is NSSDPEMRBJPBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)11-2-3-12-13(10-11)15-5-4-14-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)quinoxaline?
6-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 228.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 1491639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).