1,4-dimethylpiperidin-4-ol

• ChemBase ID: 80413
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1(CCC(CC1)(O)C)C
• Canonical SMILES: CN1CCC(CC1)(C)O
• InChI: InChI=1S/C7H15NO/c1-7(9)3-5-8(2)6-4-7/h9H,3-6H2,1-2H3
• InChIKey: FGPBNJLOWUTYQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethylpiperidin-4-ol
• IUPAC Traditional name: 1,4-dimethylpiperidin-4-ol
• Synonyms: 1,4-Dimethylpiperidin-4-ol; 1,4-Dimethyl-4-hydroxypiperidine; 1,4-dimethylpiperidin-4-ol

Database IDs

• CAS Number: 10354-61-7
• MDL Number: MFCD00101728
• PubChem SID: 162067533
• PubChem CID: 2776094

CALCULATED PROPERTIES

• Acid pKa: 14.978457
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.444295
• LogD (pH = 7.4): -1.8833349
• Log P: -0.21119428
• Molar Refractivity: 38.3506 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): -0.187

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%