(3S,4S)-4-(dimethylamino)piperidin-3-ol

• ChemBase ID: 308885
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: [C@H]1([C@@H](O)CNCC1)N(C)C
• Canonical SMILES: CN([C@H]1CCNC[C@@H]1O)C
• InChI: InChI=1S/C7H16N2O/c1-9(2)6-3-4-8-5-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7-/m0/s1
• InChIKey: ASJQOSZDBAQHIA-BQBZGAKWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917003

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.097798
• LogD (pH = 7.4): -3.6046903
• Log P: -0.85636705
• Molar Refractivity: 41.2416 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 35.5 Å^2