3-(6-piperidin-1-ylpyridazin-3-yl)aniline

C15H18N4 — CID 82048492

IUPAC3-(6-piperidin-1-ylpyridazin-3-yl)aniline
SMILESNc1cccc(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C15H18N4/c16-13-6-4-5-12(11-13)14-7-8-15(18-17-14)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,16H2
InChIKeyHLQSSDQEBXOPNB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.72
Rot. Bonds2

About 3-(6-piperidin-1-ylpyridazin-3-yl)aniline

3-(6-piperidin-1-ylpyridazin-3-yl)aniline (PubChem CID 82048492) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(6-piperidin-1-ylpyridazin-3-yl)aniline.

Molecular Properties

Compound Name3-(6-piperidin-1-ylpyridazin-3-yl)aniline
PubChem CID82048492
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(6-piperidin-1-ylpyridazin-3-yl)aniline
SMILESNc1cccc(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C15H18N4/c16-13-6-4-5-12(11-13)14-7-8-15(18-17-14)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,16H2
InChIKeyHLQSSDQEBXOPNB-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-ylpyridazin-3-yl)aniline?
The IUPAC name of 3-(6-piperidin-1-ylpyridazin-3-yl)aniline (CID 82048492) is 3-(6-piperidin-1-ylpyridazin-3-yl)aniline.
What is the SMILES notation for 3-(6-piperidin-1-ylpyridazin-3-yl)aniline?
The canonical SMILES for 3-(6-piperidin-1-ylpyridazin-3-yl)aniline is Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1.
What is the InChIKey of 3-(6-piperidin-1-ylpyridazin-3-yl)aniline?
The InChIKey is HLQSSDQEBXOPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-13-6-4-5-12(11-13)14-7-8-15(18-17-14)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,16H2.
What are the key properties of 3-(6-piperidin-1-ylpyridazin-3-yl)aniline?
3-(6-piperidin-1-ylpyridazin-3-yl)aniline has a molecular weight of 254.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-ylpyridazin-3-yl)aniline is sourced from PubChem (CID 82048492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).