2-(piperidin-4-yloxy)ethan-1-ol

• ChemBase ID: 236587
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1CCC(CC1)OCCO
• Canonical SMILES: OCCOC1CCNCC1
• InChI: InChI=1S/C7H15NO2/c9-5-6-10-7-1-3-8-4-2-7/h7-9H,1-6H2
• InChIKey: VAIHBHWKPBXNLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)ethan-1-ol
• IUPAC Traditional name: 2-(piperidin-4-yloxy)ethanol
• Synonyms: 2-(piperidin-4-yloxy)ethan-1-ol

Database IDs

• MDL Number: MFCD11136999
• PubChem SID: 164292497
• PubChem CID: 20295332

CALCULATED PROPERTIES

• Acid pKa: 15.120599
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1417294
• LogD (pH = 7.4): -3.4533224
• Log P: -0.9217944
• Molar Refractivity: 39.4612 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

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): -1.134

Product Information

• Purity: 95%