(1-benzylpiperidin-4-yl)methanol

• ChemBase ID: 41940
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1(Cc2ccccc2)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
• InChIKey: FLQPYEOKVZYXRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzylpiperidin-4-yl)methanol
• IUPAC Traditional name: (1-benzylpiperidin-4-yl)methanol
• Synonyms: (1-Benzyl-4-piperidinyl)methanol; (1-benzyl-4-piperidyl)methanol; (1-Benzylpiperidin-4-yl)methanol; 1-Benzyl-4-(hydroxymethyl)piperidine; (1-benzylpiperidin-4-yl)methanol

Database IDs

• CAS Number: 67686-01-5
• MDL Number: MFCD00831014
• PubChem SID: 162046703
• PubChem CID: 736802

CALCULATED PROPERTIES

• Acid pKa: 15.467189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5359521
• LogD (pH = 7.4): 0.029171387
• Log P: 1.6933029
• Molar Refractivity: 63.143 cm^3
• Polarizability: 24.65494 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil
• Boiling Point: 142°C/0.2mm
• Hydrophobicity(logP): 1.701

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%