1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol

C15H17N3O2 — CID 3022108

IUPAC1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol
SMILESOc1ccccc1-c1ccc(N2CCC(O)CC2)nn1
InChIInChI=1S/C15H17N3O2/c19-11-7-9-18(10-8-11)15-6-5-13(16-17-15)12-3-1-2-4-14(12)20/h1-6,11,19-20H,7-10H2
InChIKeyJGYLUGJSFWBSGA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds2

About 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol

1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol (PubChem CID 3022108) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol
PubChem CID3022108
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol
SMILESOc1ccccc1-c1ccc(N2CCC(O)CC2)nn1
InChIInChI=1S/C15H17N3O2/c19-11-7-9-18(10-8-11)15-6-5-13(16-17-15)12-3-1-2-4-14(12)20/h1-6,11,19-20H,7-10H2
InChIKeyJGYLUGJSFWBSGA-UHFFFAOYSA-N
XLogP1.81
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol (CID 3022108) is 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol is Oc1ccccc1-c1ccc(N2CCC(O)CC2)nn1.
What is the InChIKey of 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is JGYLUGJSFWBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-11-7-9-18(10-8-11)15-6-5-13(16-17-15)12-3-1-2-4-14(12)20/h1-6,11,19-20H,7-10H2.
What are the key properties of 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol?
1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 271.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 3022108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).