(3S,4S)-3-methylpiperidin-4-ol

• ChemBase ID: 310126
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1C[C@@H]([C@H](CC1)O)C
• Canonical SMILES: C[C@H]1CNCC[C@@H]1O
• InChI: InChI=1S/C6H13NO/c1-5-4-7-3-2-6(5)8/h5-8H,2-4H2,1H3/t5-,6-/m0/s1
• InChIKey: OAQDXXYGSGJMGR-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-3-methylpiperidin-4-ol
• IUPAC Traditional name: (3S,4S)-3-methylpiperidin-4-ol
• Synonyms: rac-(3S,4S)-3-methyl-4-piperidinol

Database IDs

• MDL Number: MFCD12964955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6058338
• LogD (pH = 7.4): -2.7929711
• Log P: -0.39549533
• Molar Refractivity: 32.8341 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2