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

C15H16FN3O — CID 6410593

IUPAC1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3ccccc3F)nn2)CC1
InChIInChI=1S/C15H16FN3O/c16-13-4-2-1-3-12(13)14-5-6-15(18-17-14)19-9-7-11(20)8-10-19/h1-6,11,20H,7-10H2
InChIKeyYXXWLKWZXTUCDD-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.24
Rot. Bonds2

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

1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol (PubChem CID 6410593) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol
PubChem CID6410593
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3ccccc3F)nn2)CC1
InChIInChI=1S/C15H16FN3O/c16-13-4-2-1-3-12(13)14-5-6-15(18-17-14)19-9-7-11(20)8-10-19/h1-6,11,20H,7-10H2
InChIKeyYXXWLKWZXTUCDD-UHFFFAOYSA-N
XLogP2.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol (CID 6410593) is 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol is OC1CCN(c2ccc(-c3ccccc3F)nn2)CC1.
What is the InChIKey of 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is YXXWLKWZXTUCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-4-2-1-3-12(13)14-5-6-15(18-17-14)19-9-7-11(20)8-10-19/h1-6,11,20H,7-10H2.
What are the key properties of 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol?
1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 273.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 6410593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).