4-(4-methoxyphenyl)piperidine

• ChemBase ID: 285378
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1CCC(c2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C12H17NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
• InChIKey: VCRQRAYQLAPLJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)piperidine
• IUPAC Traditional name: 4-(4-methoxyphenyl)piperidine
• Synonyms: 4-(4-methoxyphenyl)piperidine; 4-(4-Methoxy-phenyl)-piperidine

Database IDs

• CAS Number: 67259-62-5
• MDL Number: MFCD03839927
• PubChem SID: 180670909
• PubChem CID: 10679270

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3021672
• LogD (pH = 7.4): -0.65994567
• Log P: 1.9206395
• Molar Refractivity: 57.9422 cm^3
• Polarizability: 22.78904 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.262

Product Information

• Purity: 95%; 98%