6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine

C22H25N3O3 — CID 24877800

IUPAC6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine
SMILESCOc1cc2cnnc(N3CCCC(Oc4ccc(C)cc4)C3)c2cc1OC
InChIInChI=1S/C22H25N3O3/c1-15-6-8-17(9-7-15)28-18-5-4-10-25(14-18)22-19-12-21(27-3)20(26-2)11-16(19)13-23-24-22/h6-9,11-13,18H,4-5,10,14H2,1-3H3
InChIKeyWIJKSDZRJKZKNA-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.00
Rot. Bonds5

About 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine

6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine (PubChem CID 24877800) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine.

Molecular Properties

Compound Name6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine
PubChem CID24877800
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine
SMILESCOc1cc2cnnc(N3CCCC(Oc4ccc(C)cc4)C3)c2cc1OC
InChIInChI=1S/C22H25N3O3/c1-15-6-8-17(9-7-15)28-18-5-4-10-25(14-18)22-19-12-21(27-3)20(26-2)11-16(19)13-23-24-22/h6-9,11-13,18H,4-5,10,14H2,1-3H3
InChIKeyWIJKSDZRJKZKNA-UHFFFAOYSA-N
XLogP4.00
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine?
The IUPAC name of 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine (CID 24877800) is 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine.
What is the SMILES notation for 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine?
The canonical SMILES for 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine is COc1cc2cnnc(N3CCCC(Oc4ccc(C)cc4)C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine?
The InChIKey is WIJKSDZRJKZKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-6-8-17(9-7-15)28-18-5-4-10-25(14-18)22-19-12-21(27-3)20(26-2)11-16(19)13-23-24-22/h6-9,11-13,18H,4-5,10,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine?
6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine has a molecular weight of 379.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine is sourced from PubChem (CID 24877800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).