3-(3-piperidin-1-ylquinoxalin-6-yl)phenol

C19H19N3O — CID 67035904

IUPAC3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
SMILESOc1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1
InChIInChI=1S/C19H19N3O/c23-16-6-4-5-14(11-16)15-7-8-17-18(12-15)21-19(13-20-17)22-9-2-1-3-10-22/h4-8,11-13,23H,1-3,9-10H2
InChIKeyUBEGYEQCWGWQLN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.99
Rot. Bonds2

About 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol

3-(3-piperidin-1-ylquinoxalin-6-yl)phenol (PubChem CID 67035904) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol.

Molecular Properties

Compound Name3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
PubChem CID67035904
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
SMILESOc1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1
InChIInChI=1S/C19H19N3O/c23-16-6-4-5-14(11-16)15-7-8-17-18(12-15)21-19(13-20-17)22-9-2-1-3-10-22/h4-8,11-13,23H,1-3,9-10H2
InChIKeyUBEGYEQCWGWQLN-UHFFFAOYSA-N
XLogP3.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
The IUPAC name of 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol (CID 67035904) is 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol.
What is the SMILES notation for 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
The canonical SMILES for 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol is Oc1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.
What is the InChIKey of 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
The InChIKey is UBEGYEQCWGWQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-16-6-4-5-14(11-16)15-7-8-17-18(12-15)21-19(13-20-17)22-9-2-1-3-10-22/h4-8,11-13,23H,1-3,9-10H2.
What are the key properties of 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
3-(3-piperidin-1-ylquinoxalin-6-yl)phenol has a molecular weight of 305.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylquinoxalin-6-yl)phenol is sourced from PubChem (CID 67035904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).