1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine

C21H23N3O — CID 2952562

IUPAC1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
SMILESCOc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O/c1-15-11-13-24(14-12-15)21-19-6-4-3-5-18(19)20(22-23-21)16-7-9-17(25-2)10-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyOGYBJEMGRHWGDJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine

1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine (PubChem CID 2952562) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
PubChem CID2952562
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
SMILESCOc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3O/c1-15-11-13-24(14-12-15)21-19-6-4-3-5-18(19)20(22-23-21)16-7-9-17(25-2)10-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyOGYBJEMGRHWGDJ-UHFFFAOYSA-N
XLogP4.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine (CID 2952562) is 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine is COc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
The InChIKey is OGYBJEMGRHWGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-11-13-24(14-12-15)21-19-6-4-3-5-18(19)20(22-23-21)16-7-9-17(25-2)10-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine has a molecular weight of 333.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 2952562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).