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

C21H23N3 — CID 6409081

IUPAC1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
SMILESCc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3/c1-15-7-9-17(10-8-15)20-18-5-3-4-6-19(18)21(23-22-20)24-13-11-16(2)12-14-24/h3-10,16H,11-14H2,1-2H3
InChIKeyDDWIPRAPOUIPAQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.84
Rot. Bonds2

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

1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine (PubChem CID 6409081) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
PubChem CID6409081
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine
SMILESCc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1
InChIInChI=1S/C21H23N3/c1-15-7-9-17(10-8-15)20-18-5-3-4-6-19(18)21(23-22-20)24-13-11-16(2)12-14-24/h3-10,16H,11-14H2,1-2H3
InChIKeyDDWIPRAPOUIPAQ-UHFFFAOYSA-N
XLogP4.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
The IUPAC name of 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine (CID 6409081) is 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
The canonical SMILES for 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine is Cc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
The InChIKey is DDWIPRAPOUIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-7-9-17(10-8-15)20-18-5-3-4-6-19(18)21(23-22-20)24-13-11-16(2)12-14-24/h3-10,16H,11-14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine?
1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine has a molecular weight of 317.44 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 6409081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).