(3R,4R)-4-(hydroxymethyl)piperidin-3-ol

• ChemBase ID: 309217
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: N1C[C@@H]([C@@H](CO)CC1)O
• Canonical SMILES: OC[C@H]1CCNC[C@@H]1O
• InChI: InChI=1S/C6H13NO2/c8-4-5-1-2-7-3-6(5)9/h5-9H,1-4H2/t5-,6+/m1/s1
• InChIKey: COQKGJIYPZVMSJ-RITPCOANSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-(hydroxymethyl)piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-4-(hydroxymethyl)piperidin-3-ol
• Synonyms: trans-4-(hydroxymethyl)-3-piperidinol

Database IDs

• CAS Number: 195628-18-3
• MDL Number: MFCD21090680

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.60735
• LogD (pH = 7.4): -3.4488924
• Log P: -1.447565
• Molar Refractivity: 34.4984 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 52.49 Å^2