6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid

C17H19N3O2 — CID 71778745

IUPAC6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C17H19N3O2/c21-17(22)15-6-7-16(19-18-15)20-10-8-14(9-11-20)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,21,22)
InChIKeyJCNLPAOJVSQMTP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.63
Rot. Bonds4

About 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid

6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 71778745) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid
PubChem CID71778745
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C17H19N3O2/c21-17(22)15-6-7-16(19-18-15)20-10-8-14(9-11-20)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,21,22)
InChIKeyJCNLPAOJVSQMTP-UHFFFAOYSA-N
XLogP2.63
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid (CID 71778745) is 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is JCNLPAOJVSQMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(22)15-6-7-16(19-18-15)20-10-8-14(9-11-20)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,21,22).
What are the key properties of 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid?
6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 71778745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).