(3R,5R)-1-benzylpiperidine-3,5-diol

• ChemBase ID: 802372
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C1[C@H](CN(C[C@@H]1O)Cc1ccccc1)O
• Canonical SMILES: O[C@@H]1C[C@@H](O)CN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H17NO2/c14-11-6-12(15)9-13(8-11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12-/m1/s1
• InChIKey: ARTDOWDQPXVXAF-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,5R)-1-benzylpiperidine-3,5-diol
• IUPAC Traditional name: (3R,5R)-1-benzylpiperidine-3,5-diol
• Synonyms: (3R,5R)-1-BENZYLPIPERIDINE-3,5-DIOL

CALCULATED PROPERTIES

• Acid pKa: 14.500574
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3578298
• LogD (pH = 7.4): -0.61211187
• Log P: 0.5424075
• Molar Refractivity: 59.4221 cm^3
• Polarizability: 23.4099 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%