3-(2-methoxy-4-methylphenoxy)piperidine

• ChemBase ID: 20894
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(c(cc(cc1)C)OC)OC1CNCCC1
• Canonical SMILES: COc1cc(C)ccc1OC1CCCNC1
• InChI: InChI=1S/C13H19NO2/c1-10-5-6-12(13(8-10)15-2)16-11-4-3-7-14-9-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3
• InChIKey: KINQIODVYMPWNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxy-4-methylphenoxy)piperidine
• IUPAC Traditional name: 3-(2-methoxy-4-methylphenoxy)piperidine
• Synonyms: 2-Methoxy-4-methylphenyl 3-piperidinyl ether; 3-(2-Methoxy-4-methylphenoxy)piperidine; 3-(2-甲氧基-4-甲基苯氧基)哌啶

Database IDs

• MDL Number: MFCD08061061
• PubChem SID: 160984201
• PubChem CID: 24208859

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8919435
• LogD (pH = 7.4): 0.24538757
• Log P: 2.2724857
• Molar Refractivity: 63.9612 cm^3
• Polarizability: 25.293495 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%