1-(2-methoxybenzoyl)-4-methylpiperidine

• ChemBase ID: 299349
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: CC1CCN(CC1)C(=O)c1ccccc1OC
• Canonical SMILES: COc1ccccc1C(=O)N1CCC(CC1)C
• InChI: InChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3
• InChIKey: JJGVGKONRYWSEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxybenzoyl)-4-methylpiperidine
• IUPAC Traditional name: 1-(2-methoxybenzoyl)-4-methylpiperidine
• Synonyms: 1-(2-Methoxybenzoyl)-4-methylpiperidine

Database IDs

• CAS Number: 550300-24-8
• MDL Number: MFCD01358546
• PubChem SID: 180684880
• PubChem CID: 5149560

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.250952
• LogD (pH = 7.4): 2.2509522
• Log P: 2.2509522
• Molar Refractivity: 68.0836 cm^3
• Polarizability: 25.997206 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%