2,6-dimethylpiperidin-4-ol

• ChemBase ID: 279455
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(CC(CC1C)O)C
• Canonical SMILES: OC1CC(C)NC(C1)C
• InChI: InChI=1S/C7H15NO/c1-5-3-7(9)4-6(2)8-5/h5-9H,3-4H2,1-2H3
• InChIKey: IEMVEYRBXJCBBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpiperidin-4-ol
• IUPAC Traditional name: 2,6-dimethylpiperidin-4-ol
• Synonyms: 2,6-dimethylpiperidin-4-ol

Database IDs

• MDL Number: MFCD00771653
• PubChem SID: 164335365
• PubChem CID: 2762564

CALCULATED PROPERTIES

• Acid pKa: 15.162608
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2544658
• LogD (pH = 7.4): -2.4699824
• Log P: -0.04166883
• Molar Refractivity: 37.2553 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): -0.114

Product Information

• Purity: 95%