2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol

C19H19N3O2 — CID 137154860

IUPAC2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccc3ncc(N4CCCCC4)nc3c2)c1
InChIInChI=1S/C19H19N3O2/c23-14-5-7-18(24)15(11-14)13-4-6-16-17(10-13)21-19(12-20-16)22-8-2-1-3-9-22/h4-7,10-12,23-24H,1-3,8-9H2
InChIKeyCKPQMPGMRKGIDO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.70
Rot. Bonds2

About 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol

2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol (PubChem CID 137154860) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
PubChem CID137154860
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccc3ncc(N4CCCCC4)nc3c2)c1
InChIInChI=1S/C19H19N3O2/c23-14-5-7-18(24)15(11-14)13-4-6-16-17(10-13)21-19(12-20-16)22-8-2-1-3-9-22/h4-7,10-12,23-24H,1-3,8-9H2
InChIKeyCKPQMPGMRKGIDO-UHFFFAOYSA-N
XLogP3.70
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904
3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 123608556
7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
CID 67035498
7-(3-chlorophenyl)-2-piperidin-1-ylquinoxaline
CID 67035242
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174653845
2,4-bis[4-[7-(4-hydroxyphenyl)quinoxalin-2-yl]piperazin-1-yl]pentan-3-one
CID 174665442
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 174653885
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol?
The IUPAC name of 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol (CID 137154860) is 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol?
The canonical SMILES for 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol is Oc1ccc(O)c(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.
What is the InChIKey of 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol?
The InChIKey is CKPQMPGMRKGIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-14-5-7-18(24)15(11-14)13-4-6-16-17(10-13)21-19(12-20-16)22-8-2-1-3-9-22/h4-7,10-12,23-24H,1-3,8-9H2.
What are the key properties of 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol?
2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol has a molecular weight of 321.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol is sourced from PubChem (CID 137154860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).