4-ethylpiperidin-4-ol

• ChemBase ID: 797133
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(CCNCC1)(O)CC
• Canonical SMILES: CCC1(O)CCNCC1
• InChI: InChI=1S/C7H15NO/c1-2-7(9)3-5-8-6-4-7/h8-9H,2-6H2,1H3
• InChIKey: HLKJSNPSNJCJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperidin-4-ol
• IUPAC Traditional name: 4-ethylpiperidin-4-ol
• Synonyms: 4-Ethylpiperidin-4-ol

Database IDs

• CAS Number: 550369-44-3

CALCULATED PROPERTIES

• Acid pKa: 14.710242
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2695308
• LogD (pH = 7.4): -2.3373349
• Log P: -0.07171982
• Molar Refractivity: 37.5799 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%