4-(2-methoxyphenoxy)piperidine

• ChemBase ID: 297711
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: COc1ccccc1OC1CCNCC1
• Canonical SMILES: COc1ccccc1OC1CCNCC1
• InChI: InChI=1S/C12H17NO2/c1-14-11-4-2-3-5-12(11)15-10-6-8-13-9-7-10/h2-5,10,13H,6-9H2,1H3
• InChIKey: VHXAVSKIFOOMGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenoxy)piperidine
• IUPAC Traditional name: 4-(2-methoxyphenoxy)piperidine
• Synonyms: 4-(2-methoxyphenoxy)piperidine; 4-(2-Methoxyphenoxy)piperidine; 4-(2-甲氧基 苯氧基) 哌啶

Database IDs

• CAS Number: 28033-32-1
• MDL Number: MFCD08061099
• PubChem SID: 180683242
• PubChem CID: 4341691

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9057372
• LogD (pH = 7.4): -1.0614175
• Log P: 1.3016615
• Molar Refractivity: 59.1408 cm^3
• Polarizability: 23.528633 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• 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: 97%