1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol

C21H23N3O3 — CID 122185004

IUPAC1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol
SMILESCOc1cc2cnnc(N3CC(O)CC(c4ccccc4)C3)c2cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-19-9-15-11-22-23-21(18(15)10-20(19)27-2)24-12-16(8-17(25)13-24)14-6-4-3-5-7-14/h3-7,9-11,16-17,25H,8,12-13H2,1-2H3
InChIKeyAFWWBLFDSTUDIV-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.00
Rot. Bonds4

About 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol

1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol (PubChem CID 122185004) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol
PubChem CID122185004
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol
SMILESCOc1cc2cnnc(N3CC(O)CC(c4ccccc4)C3)c2cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-19-9-15-11-22-23-21(18(15)10-20(19)27-2)24-12-16(8-17(25)13-24)14-6-4-3-5-7-14/h3-7,9-11,16-17,25H,8,12-13H2,1-2H3
InChIKeyAFWWBLFDSTUDIV-UHFFFAOYSA-N
XLogP3.00
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.00
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)-5-phenylpiperidin-3-ol?
The IUPAC name of 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol (CID 122185004) is 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol.
What is the SMILES notation for 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol?
The canonical SMILES for 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol is COc1cc2cnnc(N3CC(O)CC(c4ccccc4)C3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol?
The InChIKey is AFWWBLFDSTUDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-19-9-15-11-22-23-21(18(15)10-20(19)27-2)24-12-16(8-17(25)13-24)14-6-4-3-5-7-14/h3-7,9-11,16-17,25H,8,12-13H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol?
1-(6,7-dimethoxyphthalazin-1-yl)-5-phenylpiperidin-3-ol has a molecular weight of 365.43 g/mol, XLogP of 3.00, 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)-5-phenylpiperidin-3-ol is sourced from PubChem (CID 122185004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).