4-ethylpiperidin-4-ol hydrochloride

• ChemBase ID: 283190
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1(CCNCC1)(O)CC.Cl
• Canonical SMILES: CCC1(O)CCNCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-7(9)3-5-8-6-4-7;/h8-9H,2-6H2,1H3;1H
• InChIKey: RMTPVYXPYUPQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16875508
• PubChem SID: 180668721
• PubChem CID: 51358292

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

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -0.104

Product Information

• Purity: 95%