4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol

C14H20N2O — CID 117030865

IUPAC4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol
SMILESOC1CCC(N2CCNc3ccccc32)CC1
InChIInChI=1S/C14H20N2O/c17-12-7-5-11(6-8-12)16-10-9-15-13-3-1-2-4-14(13)16/h1-4,11-12,15,17H,5-10H2
InChIKeyHMSDMKPJTQWKAM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.22
Rot. Bonds1

About 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol

4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol (PubChem CID 117030865) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol
PubChem CID117030865
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol
SMILESOC1CCC(N2CCNc3ccccc32)CC1
InChIInChI=1S/C14H20N2O/c17-12-7-5-11(6-8-12)16-10-9-15-13-3-1-2-4-14(13)16/h1-4,11-12,15,17H,5-10H2
InChIKeyHMSDMKPJTQWKAM-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol (CID 117030865) is 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol is OC1CCC(N2CCNc3ccccc32)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol?
The InChIKey is HMSDMKPJTQWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-12-7-5-11(6-8-12)16-10-9-15-13-3-1-2-4-14(13)16/h1-4,11-12,15,17H,5-10H2.
What are the key properties of 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol?
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 117030865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).