3-[(1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-4-Piperidinyl)Oxy]Benzoic Acid
[CAS# 250681-69-7]

Identification

• Name: 3-[(1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-4-Piperidinyl)Oxy]Benzoic Acid
• Synonyms: 1-Boc-4-(3-carboxyphenoxy)piperidine; 1-PIPERIDINECARBOXYLICACID, 4-(3-CARBOXYPHENOXY)-, 1-(1,1-DIMETHYLETHYL) ESTER; 4-(3-Carboxy-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₇H₂₃NO₅
• Molecular Weight: 321.37
• CAS Registry Number: 250681-69-7
• SMILES: OC(=O)c1cc(ccc1)OC2CCN(CC2)C(=O)OC(C)(C)C
• InChI: 1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-7-13(8-10-18)22-14-6-4-5-12(11-14)15(19)20/h4-6,11,13H,7-10H2,1-3H3,(H,19,20)
• InChIKey: GUHLCCZKORFGQB-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 471.844°C at 760 mmHg (Cal.)
• Flash point: 239.163°C (Cal.)
• Refractive index: 1.548 (Cal.)