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

• ChemBase ID: 297704
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: Cc1ccc(c(c1)OC)OC1CCNCC1
• Canonical SMILES: COc1cc(C)ccc1OC1CCNCC1
• InChI: InChI=1S/C13H19NO2/c1-10-3-4-12(13(9-10)15-2)16-11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3
• InChIKey: JMADJKCDERWWSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 883543-21-3
• MDL Number: MFCD06248038
• PubChem SID: 180683235
• PubChem CID: 17178055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3923157
• LogD (pH = 7.4): -0.54799604
• Log P: 1.8150829
• Molar Refractivity: 64.182 cm^3
• Polarizability: 25.293549 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%