(3S,4S)-4-[(dimethylamino)methyl]piperidin-3-ol

• ChemBase ID: 309501
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: [C@H]1(CN(C)C)[C@H](O)CNCC1
• Canonical SMILES: CN(C[C@@H]1CCNC[C@H]1O)C
• InChI: InChI=1S/C8H18N2O/c1-10(2)6-7-3-4-9-5-8(7)11/h7-9,11H,3-6H2,1-2H3/t7-,8+/m0/s1
• InChIKey: GSDGCNHOPVFXKT-JGVFFNPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-[(dimethylamino)methyl]piperidin-3-ol
• IUPAC Traditional name: (3S,4S)-4-[(dimethylamino)methyl]piperidin-3-ol
• Synonyms: rac-(3S,4S)-4-[(dimethylamino)methyl]-3-piperidinol

Database IDs

• MDL Number: MFCD19237739

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.2897596
• LogD (pH = 7.4): -4.999075
• Log P: -0.73881847
• Molar Refractivity: 46.2252 cm^3
• Polarizability: 18.407972 Å^3
• Polar Surface Area: 35.5 Å^2