2-[(1-benzylpiperidin-4-yl)oxy]-N-methylacetamide

• ChemBase ID: 297568
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: CNC(=O)COC1CCN(CC1)Cc1ccccc1
• Canonical SMILES: CNC(=O)COC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C15H22N2O2/c1-16-15(18)12-19-14-7-9-17(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
• InChIKey: NLSUNMMALQJSIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-benzylpiperidin-4-yl)oxy]-N-methylacetamide
• IUPAC Traditional name: 2-[(1-benzylpiperidin-4-yl)oxy]-N-methylacetamide
• Synonyms: 2-(1-Benzyl-4-piperidinyloxy)-N-methylacetamide; 2-(1-苄基-4-哌啶氧基)-N-甲基乙酰胺

Database IDs

• MDL Number: MFCD08060965
• PubChem SID: 180683099
• PubChem CID: 24208812

CALCULATED PROPERTIES

• Acid pKa: 15.457692
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4492202
• LogD (pH = 7.4): -0.87416935
• Log P: 0.7705454
• Molar Refractivity: 75.8797 cm^3
• Polarizability: 29.596794 Å^3
• Polar Surface Area: 41.57 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: 98%