3-(2-methoxyphenoxy)piperidine

• ChemBase ID: 20852
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c1(OC2CNCCC2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CCCNC1
• InChI: InChI=1S/C12H17NO2/c1-14-11-6-2-3-7-12(11)15-10-5-4-8-13-9-10/h2-3,6-7,10,13H,4-5,8-9H2,1H3
• InChIKey: QWVSMVKBNRCNFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)piperidine
• IUPAC Traditional name: 3-(2-methoxyphenoxy)piperidine
• Synonyms: 3-(2-Methoxyphenoxy)piperidine; 3-(2-Methoxyphenoxy)piperidine; 3-(2-甲氧基苯氧基)哌啶

Database IDs

• CAS Number: 902837-27-8
• MDL Number: MFCD08061100
• PubChem SID: 160984159
• PubChem CID: 24902299

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4031662
• LogD (pH = 7.4): -0.2556735
• Log P: 1.7590644
• Molar Refractivity: 58.92 cm^3
• Polarizability: 23.528578 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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