4-[(2-methylphenyl)methoxy]piperidine

• ChemBase ID: 245927
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1CCC(OCc2c(C)cccc2)CC1
• Canonical SMILES: Cc1ccccc1COC1CCNCC1
• InChI: InChI=1S/C13H19NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
• InChIKey: NJFYIPAFKCBDPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methylphenyl)methoxy]piperidine
• IUPAC Traditional name: 4-[(2-methylphenyl)methoxy]piperidine
• Synonyms: 4-[(2-methylphenyl)methoxy]piperidine

Database IDs

• MDL Number: MFCD08688174
• PubChem SID: 164301837
• PubChem CID: 13477830

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2137318
• LogD (pH = 7.4): -0.52530867
• Log P: 2.0062022
• Molar Refractivity: 62.8227 cm^3
• Polarizability: 24.648623 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.861

Product Information

• Purity: 95%