3-(3-methoxyphenoxy)piperidine

• ChemBase ID: 20870
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N1CC(Oc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)OC1CCCNC1
• InChI: InChI=1S/C12H17NO2/c1-14-10-4-2-5-11(8-10)15-12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3
• InChIKey: WOXIEWHYYNLTGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 902837-25-6
• MDL Number: MFCD08060989
• PubChem SID: 160984177
• PubChem CID: 24208824

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4069912
• LogD (pH = 7.4): -0.27737072
• Log P: 1.7590644
• Molar Refractivity: 58.92 cm^3
• Polarizability: 23.527044 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

Product Information

• Purity: 97%