2-(piperidin-3-yloxy)ethan-1-ol

• ChemBase ID: 275408
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1CC(OCCO)CCC1
• Canonical SMILES: OCCOC1CCCNC1
• InChI: InChI=1S/C7H15NO2/c9-4-5-10-7-2-1-3-8-6-7/h7-9H,1-6H2
• InChIKey: TUFKICFOMOFENI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yloxy)ethan-1-ol
• IUPAC Traditional name: 2-(piperidin-3-yloxy)ethanol
• Synonyms: 2-(piperidin-3-yloxy)ethan-1-ol

Database IDs

• MDL Number: MFCD11147873
• PubChem SID: 164331318
• PubChem CID: 43197065

CALCULATED PROPERTIES

• Acid pKa: 15.120507
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6548257
• LogD (pH = 7.4): -2.6665187
• Log P: -0.46439147
• Molar Refractivity: 39.2404 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.309

Product Information

• Purity: 95%