1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine

C25H24N4 — CID 91098863

IUPAC1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine
SMILESCC1CN(c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H24N4/c1-19-18-28(21-12-6-3-7-13-21)16-17-29(19)25-23-15-9-8-14-22(23)24(26-27-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3
InChIKeyHZSRZJMHTCZWED-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.01
Rot. Bonds3

About 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine

1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine (PubChem CID 91098863) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine
PubChem CID91098863
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine
SMILESCC1CN(c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H24N4/c1-19-18-28(21-12-6-3-7-13-21)16-17-29(19)25-23-15-9-8-14-22(23)24(26-27-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3
InChIKeyHZSRZJMHTCZWED-UHFFFAOYSA-N
XLogP5.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine?
The IUPAC name of 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine (CID 91098863) is 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine.
What is the SMILES notation for 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine?
The canonical SMILES for 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine is CC1CN(c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine?
The InChIKey is HZSRZJMHTCZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-19-18-28(21-12-6-3-7-13-21)16-17-29(19)25-23-15-9-8-14-22(23)24(26-27-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3.
What are the key properties of 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine?
1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine has a molecular weight of 380.50 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine is sourced from PubChem (CID 91098863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).