1-(1-ethylpiperidin-4-yl)ethan-1-ol

• ChemBase ID: 235254
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1(CCC(CC1)C(O)C)CC
• Canonical SMILES: CCN1CCC(CC1)C(O)C
• InChI: InChI=1S/C9H19NO/c1-3-10-6-4-9(5-7-10)8(2)11/h8-9,11H,3-7H2,1-2H3
• InChIKey: MVEHLQBURCSCQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-ethylpiperidin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-(1-ethylpiperidin-4-yl)ethanol
• Synonyms: 1-(1-ethylpiperidin-4-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD12183771
• PubChem SID: 164291164
• PubChem CID: 588327

CALCULATED PROPERTIES

• Acid pKa: 15.265404
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5817008
• LogD (pH = 7.4): -1.1506164
• Log P: 0.7422128
• Molar Refractivity: 47.6978 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.751

Product Information

• Purity: 95%