1-(2-methoxyphenyl)piperidine

• ChemBase ID: 290521
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: COc1ccccc1N1CCCCC1
• Canonical SMILES: COc1ccccc1N1CCCCC1
• InChI: InChI=1S/C12H17NO/c1-14-12-8-4-3-7-11(12)13-9-5-2-6-10-13/h3-4,7-8H,2,5-6,9-10H2,1H3
• InChIKey: ZJDWMGREEOZXTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)piperidine
• IUPAC Traditional name: 1-(2-methoxyphenyl)piperidine
• Synonyms: 1-(2-Methoxyphenyl)piperidine

Database IDs

• CAS Number: 5181-06-6
• PubChem SID: 180676052
• PubChem CID: 231965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.746396
• LogD (pH = 7.4): 2.773626
• Log P: 2.7739844
• Molar Refractivity: 59.0918 cm^3
• Polarizability: 22.473978 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%