1-benzyl-3-methylpiperidin-3-ol

• ChemBase ID: 244147
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1(CC(O)(CCC1)C)Cc1ccccc1
• Canonical SMILES: CC1(O)CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C13H19NO/c1-13(15)8-5-9-14(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3
• InChIKey: XOOUIRSDEYKUGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-methylpiperidin-3-ol
• IUPAC Traditional name: 1-benzyl-3-methylpiperidin-3-ol
• Synonyms: 1-benzyl-3-methylpiperidin-3-ol

Database IDs

• MDL Number: MFCD22628457
• PubChem SID: 164300057
• PubChem CID: 15283107

CALCULATED PROPERTIES

• Acid pKa: 14.686607
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3486013
• LogD (pH = 7.4): 0.091013476
• Log P: 1.9706818
• Molar Refractivity: 62.7424 cm^3
• Polarizability: 24.654938 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.434

Product Information

• Purity: 95%