[1-(2-phenylethyl)piperidin-4-yl]methanol

• ChemBase ID: 58115
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: c1(ccccc1)CCN1CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C14H21NO/c16-12-14-7-10-15(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2
• InChIKey: GBSSHKIMVABZLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-phenylethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(2-phenylethyl)piperidin-4-yl]methanol
• Synonyms: [1-(2-Phenylethyl)piperidin-4-yl]methanol

Database IDs

• CAS Number: 67686-02-6
• MDL Number: MFCD08691503
• PubChem SID: 162062878
• PubChem CID: 10262879

CALCULATED PROPERTIES

• Acid pKa: 15.46719
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3284484
• LogD (pH = 7.4): 0.12678842
• Log P: 1.9819641
• Molar Refractivity: 67.898 cm^3
• Polarizability: 26.424215 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false