2-(piperidin-3-yloxy)acetic acid

• ChemBase ID: 117778
• Molecular Formular: C7H13NO3
• Molecular Mass: 159.18302
• Monoisotopic Mass: 159.08954328
• SMILES: C(=O)(COC1CNCCC1)O
• Canonical SMILES: OC(=O)COC1CCCNC1
• InChI: InChI=1S/C7H13NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h6,8H,1-5H2,(H,9,10)
• InChIKey: MZSVIGFVSINUSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yloxy)acetic acid
• IUPAC Traditional name: (piperidin-3-yloxy)acetic acid
• Synonyms: (piperidin-3-yloxy)acetic acid hydrochloride

Database IDs

• MDL Number: MFCD16653297
• PubChem SID: 162089472
• PubChem CID: 18918522

CALCULATED PROPERTIES

• Acid pKa: 3.8504915
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7755942
• LogD (pH = 7.4): -2.7699513
• Log P: -2.7687447
• Molar Refractivity: 39.0327 cm^3
• Polarizability: 15.687127 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.025

Product Information

• Purity: 95+%
• Salt Data: HCl