5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine

C22H25N3O3 — CID 24877220

IUPAC5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine
SMILESCOc1cc2c(N3CCCC(c4ccccc4)C3)nncc2c(OC)c1OC
InChIInChI=1S/C22H25N3O3/c1-26-19-12-17-18(20(27-2)21(19)28-3)13-23-24-22(17)25-11-7-10-16(14-25)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3
InChIKeyWLRCHBQBCQYYRS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.04
Rot. Bonds5

About 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine

5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine (PubChem CID 24877220) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine
PubChem CID24877220
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine
SMILESCOc1cc2c(N3CCCC(c4ccccc4)C3)nncc2c(OC)c1OC
InChIInChI=1S/C22H25N3O3/c1-26-19-12-17-18(20(27-2)21(19)28-3)13-23-24-22(17)25-11-7-10-16(14-25)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3
InChIKeyWLRCHBQBCQYYRS-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine?
The IUPAC name of 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine (CID 24877220) is 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine?
The canonical SMILES for 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine is COc1cc2c(N3CCCC(c4ccccc4)C3)nncc2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine?
The InChIKey is WLRCHBQBCQYYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-26-19-12-17-18(20(27-2)21(19)28-3)13-23-24-22(17)25-11-7-10-16(14-25)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3.
What are the key properties of 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine?
5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine has a molecular weight of 379.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-(3-phenylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 24877220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).