1-pyridazin-4-ylpiperidin-4-ol

C9H13N3O — CID 112757116

IUPAC1-pyridazin-4-ylpiperidin-4-ol
SMILESOC1CCN(c2ccnnc2)CC1
InChIInChI=1S/C9H13N3O/c13-9-2-5-12(6-3-9)8-1-4-10-11-7-8/h1,4,7,9,13H,2-3,5-6H2
InChIKeyFZNKYQTXTHOKGU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds1

About 1-pyridazin-4-ylpiperidin-4-ol

1-pyridazin-4-ylpiperidin-4-ol (PubChem CID 112757116) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-pyridazin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-pyridazin-4-ylpiperidin-4-ol
PubChem CID112757116
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-pyridazin-4-ylpiperidin-4-ol
SMILESOC1CCN(c2ccnnc2)CC1
InChIInChI=1S/C9H13N3O/c13-9-2-5-12(6-3-9)8-1-4-10-11-7-8/h1,4,7,9,13H,2-3,5-6H2
InChIKeyFZNKYQTXTHOKGU-UHFFFAOYSA-N
XLogP0.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-ylpiperidin-4-ol?
The IUPAC name of 1-pyridazin-4-ylpiperidin-4-ol (CID 112757116) is 1-pyridazin-4-ylpiperidin-4-ol.
What is the SMILES notation for 1-pyridazin-4-ylpiperidin-4-ol?
The canonical SMILES for 1-pyridazin-4-ylpiperidin-4-ol is OC1CCN(c2ccnnc2)CC1.
What is the InChIKey of 1-pyridazin-4-ylpiperidin-4-ol?
The InChIKey is FZNKYQTXTHOKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-2-5-12(6-3-9)8-1-4-10-11-7-8/h1,4,7,9,13H,2-3,5-6H2.
What are the key properties of 1-pyridazin-4-ylpiperidin-4-ol?
1-pyridazin-4-ylpiperidin-4-ol has a molecular weight of 179.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-ylpiperidin-4-ol is sourced from PubChem (CID 112757116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).