3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine

C18H30N4 — CID 171691198

IUPAC3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
SMILESCC(C)(C)c1ccc(N2CCC(N3CCCCC3)CC2)nn1
InChIInChI=1S/C18H30N4/c1-18(2,3)16-7-8-17(20-19-16)22-13-9-15(10-14-22)21-11-5-4-6-12-21/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyJULLXDPMFVABCU-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.23
Rot. Bonds2

About 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine

3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine (PubChem CID 171691198) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
PubChem CID171691198
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
SMILESCC(C)(C)c1ccc(N2CCC(N3CCCCC3)CC2)nn1
InChIInChI=1S/C18H30N4/c1-18(2,3)16-7-8-17(20-19-16)22-13-9-15(10-14-22)21-11-5-4-6-12-21/h7-8,15H,4-6,9-14H2,1-3H3
InChIKeyJULLXDPMFVABCU-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine 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 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine (CID 171691198) is 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine is CC(C)(C)c1ccc(N2CCC(N3CCCCC3)CC2)nn1.
What is the InChIKey of 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine?
The InChIKey is JULLXDPMFVABCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-18(2,3)16-7-8-17(20-19-16)22-13-9-15(10-14-22)21-11-5-4-6-12-21/h7-8,15H,4-6,9-14H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine?
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine has a molecular weight of 302.47 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 171691198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).