1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine

C16H22N4O2 — CID 20569911

IUPAC1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C16H22N4O2/c1-17-12-4-6-20(7-5-12)16-13-9-15(22-3)14(21-2)8-11(13)10-18-19-16/h8-10,12,17H,4-7H2,1-3H3
InChIKeyLPORTKWESYXMFA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.84
Rot. Bonds4

About 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine

1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine (PubChem CID 20569911) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine
PubChem CID20569911
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C16H22N4O2/c1-17-12-4-6-20(7-5-12)16-13-9-15(22-3)14(21-2)8-11(13)10-18-19-16/h8-10,12,17H,4-7H2,1-3H3
InChIKeyLPORTKWESYXMFA-UHFFFAOYSA-N
XLogP1.84
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine 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-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine (CID 20569911) is 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine is CNC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1.
What is the InChIKey of 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine?
The InChIKey is LPORTKWESYXMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-12-4-6-20(7-5-12)16-13-9-15(22-3)14(21-2)8-11(13)10-18-19-16/h8-10,12,17H,4-7H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine?
1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.84, 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)-N-methylpiperidin-4-amine is sourced from PubChem (CID 20569911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).