(1-benzyl-4-methylpiperidin-4-yl)methanol

• ChemBase ID: 286145
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: N1(Cc2ccccc2)CCC(CC1)(CO)C
• Canonical SMILES: OCC1(C)CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C14H21NO/c1-14(12-16)7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
• InChIKey: PXRXXAWVTCEAMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzyl-4-methylpiperidin-4-yl)methanol
• IUPAC Traditional name: (1-benzyl-4-methylpiperidin-4-yl)methanol
• Synonyms: (1-benzyl-4-methylpiperidin-4-yl)methanol

Database IDs

• MDL Number: MFCD18157617
• PubChem SID: 180671676
• PubChem CID: 59433298

CALCULATED PROPERTIES

• Acid pKa: 15.114221
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2191553
• LogD (pH = 7.4): 0.26812536
• Log P: 2.0713038
• Molar Refractivity: 67.5411 cm^3
• Polarizability: 26.501024 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%