1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine

C25H24N4 — CID 6404568

IUPAC1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
SMILESc1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyPMNLMFUHSIYHHB-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.55
Rot. Bonds4

About 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine

1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine (PubChem CID 6404568) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
PubChem CID6404568
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
SMILESc1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyPMNLMFUHSIYHHB-UHFFFAOYSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine (CID 6404568) is 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine is c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1.
What is the InChIKey of 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine?
The InChIKey is PMNLMFUHSIYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-3-9-20(10-4-1)19-24-22-13-7-8-14-23(22)25(27-26-24)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1-14H,15-19H2.
What are the key properties of 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine?
1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine has a molecular weight of 380.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 6404568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).