4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol

C23H27N3O4 — CID 24877105

IUPAC4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol
SMILESCOc1cc2c(N3CCC(O)(Cc4ccccc4)CC3)nncc2c(OC)c1OC
InChIInChI=1S/C23H27N3O4/c1-28-19-13-17-18(20(29-2)21(19)30-3)15-24-25-22(17)26-11-9-23(27,10-12-26)14-16-7-5-4-6-8-16/h4-8,13,15,27H,9-12,14H2,1-3H3
InChIKeyHPMKDNVCMIYIDQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.23
Rot. Bonds6

About 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol

4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol (PubChem CID 24877105) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol
PubChem CID24877105
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol
SMILESCOc1cc2c(N3CCC(O)(Cc4ccccc4)CC3)nncc2c(OC)c1OC
InChIInChI=1S/C23H27N3O4/c1-28-19-13-17-18(20(29-2)21(19)30-3)15-24-25-22(17)26-11-9-23(27,10-12-26)14-16-7-5-4-6-8-16/h4-8,13,15,27H,9-12,14H2,1-3H3
InChIKeyHPMKDNVCMIYIDQ-UHFFFAOYSA-N
XLogP3.23
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol?
The IUPAC name of 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol (CID 24877105) is 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol is COc1cc2c(N3CCC(O)(Cc4ccccc4)CC3)nncc2c(OC)c1OC.
What is the InChIKey of 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol?
The InChIKey is HPMKDNVCMIYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-28-19-13-17-18(20(29-2)21(19)30-3)15-24-25-22(17)26-11-9-23(27,10-12-26)14-16-7-5-4-6-8-16/h4-8,13,15,27H,9-12,14H2,1-3H3.
What are the key properties of 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol?
4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol has a molecular weight of 409.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol is sourced from PubChem (CID 24877105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).