4-(6-piperidin-1-ylpyridazin-3-yl)aniline

C15H18N4 — CID 51711955

IUPAC4-(6-piperidin-1-ylpyridazin-3-yl)aniline
SMILESNc1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C15H18N4/c16-13-6-4-12(5-7-13)14-8-9-15(18-17-14)19-10-2-1-3-11-19/h4-9H,1-3,10-11,16H2
InChIKeyPNUPINNTNCIMQI-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.72
Rot. Bonds2

About 4-(6-piperidin-1-ylpyridazin-3-yl)aniline

4-(6-piperidin-1-ylpyridazin-3-yl)aniline (PubChem CID 51711955) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(6-piperidin-1-ylpyridazin-3-yl)aniline.

Molecular Properties

Compound Name4-(6-piperidin-1-ylpyridazin-3-yl)aniline
PubChem CID51711955
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(6-piperidin-1-ylpyridazin-3-yl)aniline
SMILESNc1ccc(-c2ccc(N3CCCCC3)nn2)cc1
InChIInChI=1S/C15H18N4/c16-13-6-4-12(5-7-13)14-8-9-15(18-17-14)19-10-2-1-3-11-19/h4-9H,1-3,10-11,16H2
InChIKeyPNUPINNTNCIMQI-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'}

Analyze 4-(6-piperidin-1-ylpyridazin-3-yl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-morpholin-4-ylpyridazin-3-yl)aniline
CID 82048490
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
4-[6-(4-aminophenyl)pyridazin-3-yl]aniline
CID 139699068
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
N-cyclohexyl-N-methyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035078
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075

Frequently Asked Questions

What is the IUPAC name of 4-(6-piperidin-1-ylpyridazin-3-yl)aniline?
The IUPAC name of 4-(6-piperidin-1-ylpyridazin-3-yl)aniline (CID 51711955) is 4-(6-piperidin-1-ylpyridazin-3-yl)aniline.
What is the SMILES notation for 4-(6-piperidin-1-ylpyridazin-3-yl)aniline?
The canonical SMILES for 4-(6-piperidin-1-ylpyridazin-3-yl)aniline is Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1.
What is the InChIKey of 4-(6-piperidin-1-ylpyridazin-3-yl)aniline?
The InChIKey is PNUPINNTNCIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-13-6-4-12(5-7-13)14-8-9-15(18-17-14)19-10-2-1-3-11-19/h4-9H,1-3,10-11,16H2.
What are the key properties of 4-(6-piperidin-1-ylpyridazin-3-yl)aniline?
4-(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 4-(6-piperidin-1-ylpyridazin-3-yl)aniline is sourced from PubChem (CID 51711955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).