2-(piperidin-4-yloxy)-N-propylbenzamide

• ChemBase ID: 297596
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: CCCNC(=O)c1ccccc1OC1CCNCC1
• Canonical SMILES: CCCNC(=O)c1ccccc1OC1CCNCC1
• InChI: InChI=1S/C15H22N2O2/c1-2-9-17-15(18)13-5-3-4-6-14(13)19-12-7-10-16-11-8-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18)
• InChIKey: LPOLZUPPWJORHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)-N-propylbenzamide
• IUPAC Traditional name: 2-(piperidin-4-yloxy)-N-propylbenzamide
• Synonyms: 2-(4-Piperidinyloxy)-N-propylbenzamide; 2-(4-哌啶氧基)-正丙基苯甲酰胺

Database IDs

• CAS Number: 902837-05-2
• MDL Number: MFCD08060979
• PubChem SID: 180683127
• PubChem CID: 24208821

CALCULATED PROPERTIES

• Acid pKa: 14.1384325
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7944192
• LogD (pH = 7.4): -0.950099
• Log P: 1.4129795
• Molar Refractivity: 75.9253 cm^3
• Polarizability: 29.365856 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%