3,3-dimethylpiperidin-4-ol

• ChemBase ID: 287543
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: OC1C(C)(C)CNCC1
• Canonical SMILES: OC1CCNCC1(C)C
• InChI: InChI=1S/C7H15NO/c1-7(2)5-8-4-3-6(7)9/h6,8-9H,3-5H2,1-2H3
• InChIKey: ZCCBPOMEIUZJMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylpiperidin-4-ol
• IUPAC Traditional name: 3,3-dimethylpiperidin-4-ol
• Synonyms: 3,3-Dimethylpiperidin-4-ol

Database IDs

• CAS Number: 373603-88-4
• PubChem SID: 180673074
• PubChem CID: 21973736

CALCULATED PROPERTIES

• Acid pKa: 14.641325
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.105405
• LogD (pH = 7.4): -2.2115366
• Log P: 0.096856266
• Molar Refractivity: 37.177 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%