2-(2-methoxyphenyl)piperidine

• ChemBase ID: 271074
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(C2NCCCC2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CCCCN1
• InChI: InChI=1S/C12H17NO/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11/h2-3,6,8,11,13H,4-5,7,9H2,1H3
• InChIKey: ZZBFEVGWWXDHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)piperidine
• IUPAC Traditional name: 2-(2-methoxyphenyl)piperidine
• Synonyms: 2-(2-methoxyphenyl)piperidine

Database IDs

• MDL Number: MFCD02663553
• PubChem SID: 164326984
• PubChem CID: 3543178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8061948
• LogD (pH = 7.4): 0.56855583
• Log P: 2.2840567
• Molar Refractivity: 57.5814 cm^3
• Polarizability: 22.866222 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.412

Product Information

• Purity: 95%