(3R,4S)-piperidine-3,4-diol

• ChemBase ID: 308882
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: [C@@H]1([C@H](CCNC1)O)O
• Canonical SMILES: O[C@@H]1CNCC[C@@H]1O
• InChI: InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5+/m0/s1
• InChIKey: IZXWMVPZODQBRB-CRCLSJGQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-piperidine-3,4-diol
• IUPAC Traditional name: (3R,4S)-piperidine-3,4-diol
• Synonyms: cis-3,4-piperidinediol

Database IDs

• CAS Number: 39640-70-5
• MDL Number: MFCD09910271

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.6538935
• LogD (pH = 7.4): -3.2758853
• Log P: -1.5651135
• Molar Refractivity: 29.5148 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 52.49 Å^2