4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine

C18H31N3O — CID 176933526

IUPAC4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine
SMILESCOc1cc(C2CCN(CCC(C)C)CC2)nnc1C(C)C
InChIInChI=1S/C18H31N3O/c1-13(2)6-9-21-10-7-15(8-11-21)16-12-17(22-5)18(14(3)4)20-19-16/h12-15H,6-11H2,1-5H3
InChIKeyZRIVQCOVGBCOHQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.83
Rot. Bonds6

About 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine

4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine (PubChem CID 176933526) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine.

Molecular Properties

Compound Name4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine
PubChem CID176933526
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine
SMILESCOc1cc(C2CCN(CCC(C)C)CC2)nnc1C(C)C
InChIInChI=1S/C18H31N3O/c1-13(2)6-9-21-10-7-15(8-11-21)16-12-17(22-5)18(14(3)4)20-19-16/h12-15H,6-11H2,1-5H3
InChIKeyZRIVQCOVGBCOHQ-UHFFFAOYSA-N
XLogP3.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine 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-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
CID 176934813
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine
CID 111859859
3-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]propanenitrile
CID 94698512
1-(3-methylbutyl)-4-[1-[3-[4-[4-(3-methylbutyl)phenyl]piperidin-1-yl]propyl]piperidin-4-yl]piperidine
CID 59110950
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine
CID 18751543
3-(1-ethylpyrrolidin-3-yl)-6-methoxypyridazine
CID 117105120
4-cyclopropyl-1-(3-methylbutyl)triazole
CID 139426325
4-[3-[1-(3-methylbutyl)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 68603812
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine?
The IUPAC name of 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine (CID 176933526) is 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine.
What is the SMILES notation for 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine?
The canonical SMILES for 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine is COc1cc(C2CCN(CCC(C)C)CC2)nnc1C(C)C.
What is the InChIKey of 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine?
The InChIKey is ZRIVQCOVGBCOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-13(2)6-9-21-10-7-15(8-11-21)16-12-17(22-5)18(14(3)4)20-19-16/h12-15H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine?
4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine has a molecular weight of 305.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]-3-propan-2-ylpyridazine is sourced from PubChem (CID 176933526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).