1-(2-phenylethyl)piperidin-4-ol

• ChemBase ID: 78262
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: N1(CCc2ccccc2)CCC(O)CC1
• Canonical SMILES: OC1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C13H19NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
• InChIKey: KYGMSTKBHJVPJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-phenylethyl)piperidin-4-ol
• Synonyms: 1-(2-Phenylethyl)piperidin-4-ol; 4-Hydroxy-1-(2-phenylethyl)piperidine

Database IDs

• CAS Number: 3518-76-1
• PubChem SID: 162043047
• PubChem CID: 77055

CALCULATED PROPERTIES

• Acid pKa: 15.179289
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6973629
• LogD (pH = 7.4): -0.12125381
• Log P: 1.5213634
• Molar Refractivity: 63.08 cm^3
• Polarizability: 24.578257 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant