1-(piperidin-3-yl)ethan-1-ol

• ChemBase ID: 259107
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(C(O)C)CCC1
• Canonical SMILES: CC(C1CCCNC1)O
• InChI: InChI=1S/C7H15NO/c1-6(9)7-3-2-4-8-5-7/h6-9H,2-5H2,1H3
• InChIKey: DIIJLQSRNWMPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00085487
• PubChem SID: 164315017
• PubChem CID: 225570

CALCULATED PROPERTIES

• Acid pKa: 15.230167
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1735177
• LogD (pH = 7.4): -2.4487388
• Log P: 0.04391362
• Molar Refractivity: 37.5557 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: 52 - 54°C
• Hydrophobicity(logP): -0.224

Product Information

• Purity: 95%