1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine

C16H20N4O — CID 56770334

IUPAC1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
SMILESCOc1ccccc1-c1ccc(N2CCC(N)CC2)nn1
InChIInChI=1S/C16H20N4O/c1-21-15-5-3-2-4-13(15)14-6-7-16(19-18-14)20-10-8-12(17)9-11-20/h2-7,12H,8-11,17H2,1H3
InChIKeyFLJURVTZIARUOJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.08
Rot. Bonds3

About 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine

1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine (PubChem CID 56770334) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
PubChem CID56770334
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
SMILESCOc1ccccc1-c1ccc(N2CCC(N)CC2)nn1
InChIInChI=1S/C16H20N4O/c1-21-15-5-3-2-4-13(15)14-6-7-16(19-18-14)20-10-8-12(17)9-11-20/h2-7,12H,8-11,17H2,1H3
InChIKeyFLJURVTZIARUOJ-UHFFFAOYSA-N
XLogP2.08
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine (CID 56770334) is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine is COc1ccccc1-c1ccc(N2CCC(N)CC2)nn1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine?
The InChIKey is FLJURVTZIARUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-15-5-3-2-4-13(15)14-6-7-16(19-18-14)20-10-8-12(17)9-11-20/h2-7,12H,8-11,17H2,1H3.
What are the key properties of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine?
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine is sourced from PubChem (CID 56770334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).