1-(3-methoxyphenyl)piperidine

• ChemBase ID: 290564
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: COc1cc(N2CCCCC2)ccc1
• Canonical SMILES: COc1cccc(c1)N1CCCCC1
• InChI: InChI=1S/C12H17NO/c1-14-12-7-5-6-11(10-12)13-8-3-2-4-9-13/h5-7,10H,2-4,8-9H2,1H3
• InChIKey: GZGYOLIWTUXMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)piperidine
• IUPAC Traditional name: 1-(3-methoxyphenyl)piperidine
• Synonyms: 1-(3-Methoxyphenyl)piperidine

Database IDs

• CAS Number: 32040-06-5
• PubChem SID: 180676095
• PubChem CID: 605725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7334025
• LogD (pH = 7.4): 2.7734492
• Log P: 2.7739844
• Molar Refractivity: 59.0918 cm^3
• Polarizability: 22.472971 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%