1-(4-methylphenyl)-4-piperidin-1-ylphthalazine

C20H21N3 — CID 6401134

IUPAC1-(4-methylphenyl)-4-piperidin-1-ylphthalazine
SMILESCc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21N3/c1-15-9-11-16(12-10-15)19-17-7-3-4-8-18(17)20(22-21-19)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyXCHUFBUJPINCOG-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.60
Rot. Bonds2

About 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine

1-(4-methylphenyl)-4-piperidin-1-ylphthalazine (PubChem CID 6401134) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-piperidin-1-ylphthalazine
PubChem CID6401134
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-(4-methylphenyl)-4-piperidin-1-ylphthalazine
SMILESCc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21N3/c1-15-9-11-16(12-10-15)19-17-7-3-4-8-18(17)20(22-21-19)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyXCHUFBUJPINCOG-UHFFFAOYSA-N
XLogP4.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.60
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-piperidin-1-ylphthalazine?
The IUPAC name of 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine (CID 6401134) is 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine?
The canonical SMILES for 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine is Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine?
The InChIKey is XCHUFBUJPINCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-9-11-16(12-10-15)19-17-7-3-4-8-18(17)20(22-21-19)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-piperidin-1-ylphthalazine?
1-(4-methylphenyl)-4-piperidin-1-ylphthalazine has a molecular weight of 303.41 g/mol, XLogP of 4.60, 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-piperidin-1-ylphthalazine is sourced from PubChem (CID 6401134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).