[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol

C14H16N4O3 — CID 71650059

IUPAC[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol
SMILESO=[N+]([O-])c1ccc2nc(N3CCC(CO)CC3)cnc2c1
InChIInChI=1S/C14H16N4O3/c19-9-10-3-5-17(6-4-10)14-8-15-13-7-11(18(20)21)1-2-12(13)16-14/h1-2,7-8,10,19H,3-6,9H2
InChIKeySBPBWQWKUDDGTH-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.75
Rot. Bonds3

About [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol

[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol (PubChem CID 71650059) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol
PubChem CID71650059
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol
SMILESO=[N+]([O-])c1ccc2nc(N3CCC(CO)CC3)cnc2c1
InChIInChI=1S/C14H16N4O3/c19-9-10-3-5-17(6-4-10)14-8-15-13-7-11(18(20)21)1-2-12(13)16-14/h1-2,7-8,10,19H,3-6,9H2
InChIKeySBPBWQWKUDDGTH-UHFFFAOYSA-N
XLogP1.75
TPSA92.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol (CID 71650059) is [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol is O=[N+]([O-])c1ccc2nc(N3CCC(CO)CC3)cnc2c1.
What is the InChIKey of [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol?
The InChIKey is SBPBWQWKUDDGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-9-10-3-5-17(6-4-10)14-8-15-13-7-11(18(20)21)1-2-12(13)16-14/h1-2,7-8,10,19H,3-6,9H2.
What are the key properties of [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol?
[1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol has a molecular weight of 288.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-nitroquinoxalin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 71650059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).