4-(2-methoxyphenyl)piperidine

• ChemBase ID: 73329
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1CCC(c2c(cccc2)OC)CC1
• Canonical SMILES: COc1ccccc1C1CCNCC1
• InChI: InChI=1S/C12H17NO/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10/h2-5,10,13H,6-9H2,1H3
• InChIKey: SRAVSVBVHDLLPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)piperidine
• IUPAC Traditional name: 4-(2-methoxyphenyl)piperidine
• Synonyms: 4-(2-Methoxyphenyl)piperidine 97%; 4-(2-methoxyphenyl)piperidine

Database IDs

• CAS Number: 58333-75-8
• MDL Number: MFCD00277219
• PubChem SID: 162038249
• PubChem CID: 544738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2991875
• LogD (pH = 7.4): -0.6091427
• Log P: 1.9206395
• Molar Refractivity: 57.9422 cm^3
• Polarizability: 22.790617 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-55°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%