1-{[2-(1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl}-3-piperidinecarboxylic acid
[CAS# 904816-50-8]

Identification

• Name: 1-{[2-(1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl}-3-piperidinecarboxylic acid
• Synonyms: 1-(2-Benzo[1,3]dioxol-5-yl-imidazo[1,2-a]pyrimidin-3-ylmethyl)-; 1-(2-Benzo[1,3]dioxol-5-yl-imidazo[1,2-a]pyrimidin-3-ylmethyl)-; piperidine-3-carboxylic acid; 1-(2-Benzo[1,3]dioxol-5-yl-imidazo[1,2-a]pyrimidin-3-ylmethyl)-piperidine-3-carboxylic acid
• Molecular Formula: C₂₀H₂₀N₄O₄
• Molecular Weight: 380.40
• CAS Registry Number: 904816-50-8
• SMILES: c1cnc2nc(c(n2c1)CN3CCCC(C3)C(=O)O)c4ccc5c(c4)OCO5
• InChI: 1S/C20H20N4O4/c25-19(26)14-3-1-7-23(10-14)11-15-18(22-20-21-6-2-8-24(15)20)13-4-5-16-17(9-13)28-12-27-16/h2,4-6,8-9,14H,1,3,7,10-12H2,(H,25,26)
• InChIKey: LOIBWHFIFZCKDA-UHFFFAOYSA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Refractive index: 1.735 (Cal.)