(1R,5S,8S)-3-azabicyclo[3.2.1]octan-8-ol

• ChemBase ID: 309883
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: [C@H]1([C@H]2CC[C@@H]1CNC2)O
• Canonical SMILES: O[C@@H]1[C@@H]2CNC[C@H]1CC2
• InChI: InChI=1S/C7H13NO/c9-7-5-1-2-6(7)4-8-3-5/h5-9H,1-4H2/t5-,6+,7+
• InChIKey: XPZYBFOYRKOKPL-ZMONIFLSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S,8S)-3-azabicyclo[3.2.1]octan-8-ol
• IUPAC Traditional name: (1R,5S,8S)-3-azabicyclo[3.2.1]octan-8-ol
• Synonyms: (8-syn)-3-azabicyclo[3.2.1]octan-8-ol

Database IDs

• MDL Number: MFCD21364387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5927317
• LogD (pH = 7.4): -2.8086944
• Log P: -0.37989765
• Molar Refractivity: 35.4483 cm^3
• Polarizability: 14.310322 Å^3
• Polar Surface Area: 32.26 Å^2