(3R,4R)-3-amino-1-methylpiperidin-4-ol

• ChemBase ID: 308884
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: [C@H]1(CN(CC[C@H]1O)C)N
• Canonical SMILES: CN1CC[C@H]([C@@H](C1)N)O
• InChI: InChI=1S/C6H14N2O/c1-8-3-2-6(9)5(7)4-8/h5-6,9H,2-4,7H2,1H3/t5-,6-/m1/s1
• InChIKey: OBUKKWCLILVOSP-PHDIDXHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-3-amino-1-methylpiperidin-4-ol
• IUPAC Traditional name: (3R,4R)-3-amino-1-methylpiperidin-4-ol
• Synonyms: rac-(3R,4R)-3-amino-1-methylpiperidin-4-ol

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.342808
• LogD (pH = 7.4): -3.1256049
• Log P: -1.2889475
• Molar Refractivity: 36.467 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 49.49 Å^2