2-(piperidin-4-yloxy)-N-(propan-2-yl)benzamide

• ChemBase ID: 297595
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: CC(C)NC(=O)c1ccccc1OC1CCNCC1
• Canonical SMILES: CC(NC(=O)c1ccccc1OC1CCNCC1)C
• InChI: InChI=1S/C15H22N2O2/c1-11(2)17-15(18)13-5-3-4-6-14(13)19-12-7-9-16-10-8-12/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)
• InChIKey: LGXIYGMRPDJNQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)-N-(propan-2-yl)benzamide
• IUPAC Traditional name: N-isopropyl-2-(piperidin-4-yloxy)benzamide
• Synonyms: N-Isopropyl-2-(4-piperidinyloxy)benzamide; N-异丙基-2-(4-哌啶氧基)苯甲酰胺

Database IDs

• CAS Number: 902837-04-1
• MDL Number: MFCD08060978
• PubChem SID: 180683126
• PubChem CID: 24208820

CALCULATED PROPERTIES

• Acid pKa: 14.249401
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9003665
• LogD (pH = 7.4): -1.0560466
• Log P: 1.3070321
• Molar Refractivity: 75.8201 cm^3
• Polarizability: 29.36583 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• 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%