4-(4-methoxy-3-methylphenyl)piperidine

• ChemBase ID: 19469
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1(cc(c(cc1)OC)C)C1CCNCC1
• Canonical SMILES: COc1ccc(cc1C)C1CCNCC1
• InChI: InChI=1S/C13H19NO/c1-10-9-12(3-4-13(10)15-2)11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3
• InChIKey: LFSVHCZJBFRGKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxy-3-methylphenyl)piperidine
• IUPAC Traditional name: 4-(4-methoxy-3-methylphenyl)piperidine
• Synonyms: 4-(4-Methoxy-3-methylphenyl)piperidine

Database IDs

• MDL Number: MFCD05189977
• PubChem SID: 160982776
• PubChem CID: 22729194

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7888963
• LogD (pH = 7.4): -0.1492459
• Log P: 2.4340608
• Molar Refractivity: 62.9834 cm^3
• Polarizability: 24.556236 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false