1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol

C23H27N3O3 — CID 24877917

IUPAC1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol
SMILESCOc1cc2cnnc(N3CCCC(O)(c4ccc(C)cc4C)C3)c2cc1OC
InChIInChI=1S/C23H27N3O3/c1-15-6-7-19(16(2)10-15)23(27)8-5-9-26(14-23)22-18-12-21(29-4)20(28-3)11-17(18)13-24-25-22/h6-7,10-13,27H,5,8-9,14H2,1-4H3
InChIKeyYLDBOPWJNJNIID-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.75
Rot. Bonds4

About 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol

1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol (PubChem CID 24877917) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol
PubChem CID24877917
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol
SMILESCOc1cc2cnnc(N3CCCC(O)(c4ccc(C)cc4C)C3)c2cc1OC
InChIInChI=1S/C23H27N3O3/c1-15-6-7-19(16(2)10-15)23(27)8-5-9-26(14-23)22-18-12-21(29-4)20(28-3)11-17(18)13-24-25-22/h6-7,10-13,27H,5,8-9,14H2,1-4H3
InChIKeyYLDBOPWJNJNIID-UHFFFAOYSA-N
XLogP3.75
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol?
The IUPAC name of 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol (CID 24877917) is 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol.
What is the SMILES notation for 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol?
The canonical SMILES for 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol is COc1cc2cnnc(N3CCCC(O)(c4ccc(C)cc4C)C3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol?
The InChIKey is YLDBOPWJNJNIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-6-7-19(16(2)10-15)23(27)8-5-9-26(14-23)22-18-12-21(29-4)20(28-3)11-17(18)13-24-25-22/h6-7,10-13,27H,5,8-9,14H2,1-4H3.
What are the key properties of 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol?
1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol has a molecular weight of 393.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyphthalazin-1-yl)-3-(2,4-dimethylphenyl)piperidin-3-ol is sourced from PubChem (CID 24877917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).