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

C16H19N3O2 — CID 3022105

IUPAC1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol
SMILESCOc1ccc(-c2ccc(N3CCC(O)CC3)nn2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-14-4-2-12(3-5-14)15-6-7-16(18-17-15)19-10-8-13(20)9-11-19/h2-7,13,20H,8-11H2,1H3
InChIKeyIFJMWVNASFYBDY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds3

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

1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol (PubChem CID 3022105) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol
PubChem CID3022105
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol
SMILESCOc1ccc(-c2ccc(N3CCC(O)CC3)nn2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-14-4-2-12(3-5-14)15-6-7-16(18-17-15)19-10-8-13(20)9-11-19/h2-7,13,20H,8-11H2,1H3
InChIKeyIFJMWVNASFYBDY-UHFFFAOYSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol (CID 3022105) is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol is COc1ccc(-c2ccc(N3CCC(O)CC3)nn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol?
The InChIKey is IFJMWVNASFYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-14-4-2-12(3-5-14)15-6-7-16(18-17-15)19-10-8-13(20)9-11-19/h2-7,13,20H,8-11H2,1H3.
What are the key properties of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol?
1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol has a molecular weight of 285.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol is sourced from PubChem (CID 3022105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).