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

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Related Compounds

1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329
3-(4-methylphenyl)-5-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 53021987
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(6-tert-butylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 175648275
(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
CID 134595736
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidin-3-ol
CID 45252722

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).