1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine

C15H19N3O — CID 102954736

IUPAC1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine
SMILESCc1nnc(OC2CNCCC2C)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-10-7-8-16-9-14(10)19-15-13-6-4-3-5-12(13)11(2)17-18-15/h3-6,10,14,16H,7-9H2,1-2H3
InChIKeyKVBBYYTVGFKLIN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.32
Rot. Bonds2

About 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine

1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine (PubChem CID 102954736) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine
PubChem CID102954736
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine
SMILESCc1nnc(OC2CNCCC2C)c2ccccc12
InChIInChI=1S/C15H19N3O/c1-10-7-8-16-9-14(10)19-15-13-6-4-3-5-12(13)11(2)17-18-15/h3-6,10,14,16H,7-9H2,1-2H3
InChIKeyKVBBYYTVGFKLIN-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine 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 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine?
The IUPAC name of 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine (CID 102954736) is 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine.
What is the SMILES notation for 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine?
The canonical SMILES for 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine is Cc1nnc(OC2CNCCC2C)c2ccccc12.
What is the InChIKey of 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine?
The InChIKey is KVBBYYTVGFKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-8-16-9-14(10)19-15-13-6-4-3-5-12(13)11(2)17-18-15/h3-6,10,14,16H,7-9H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine?
1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine has a molecular weight of 257.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperidin-3-yl)oxyphthalazine is sourced from PubChem (CID 102954736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).