2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol

C20H27N3O — CID 170226371

IUPAC2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(CC3CCCN(C)C3)c(C)c2C)c(O)c1
InChIInChI=1S/C20H27N3O/c1-13-7-8-17(19(24)10-13)20-15(3)14(2)18(21-22-20)11-16-6-5-9-23(4)12-16/h7-8,10,16,24H,5-6,9,11-12H2,1-4H3
InChIKeyQFMJMYWPGBFPOZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.66
Rot. Bonds3

About 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol

2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol (PubChem CID 170226371) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol
PubChem CID170226371
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(CC3CCCN(C)C3)c(C)c2C)c(O)c1
InChIInChI=1S/C20H27N3O/c1-13-7-8-17(19(24)10-13)20-15(3)14(2)18(21-22-20)11-16-6-5-9-23(4)12-16/h7-8,10,16,24H,5-6,9,11-12H2,1-4H3
InChIKeyQFMJMYWPGBFPOZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[1-hydroxy-1-(1-methylpiperidin-3-yl)ethyl]-4,5-dimethylpyridazin-3-yl]-5-methylphenol
CID 170226367
2-[4-[[(3S)-1-methylpiperidin-3-yl]methyl]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852374
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
CID 169224900
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]-6-methylsulfonylphthalazin-1-yl]phenol
CID 175368051
2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402
2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368068
2-[6-[hydroxy-(1-methylpiperidin-3-yl)methyl]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 169066771
5-bromo-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151317
5-bromo-2-[6-methyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 175368342
5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 171826679

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol?
The IUPAC name of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol (CID 170226371) is 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol.
What is the SMILES notation for 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol?
The canonical SMILES for 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol is Cc1ccc(-c2nnc(CC3CCCN(C)C3)c(C)c2C)c(O)c1.
What is the InChIKey of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol?
The InChIKey is QFMJMYWPGBFPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13-7-8-17(19(24)10-13)20-15(3)14(2)18(21-22-20)11-16-6-5-9-23(4)12-16/h7-8,10,16,24H,5-6,9,11-12H2,1-4H3.
What are the key properties of 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol?
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol has a molecular weight of 325.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol is sourced from PubChem (CID 170226371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).