ethyl 2-(4-hydroxypiperidin-1-yl)acetate

• ChemBase ID: 271627
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: N1(CC(=O)OCC)CCC(CC1)O
• Canonical SMILES: CCOC(=O)CN1CCC(CC1)O
• InChI: InChI=1S/C9H17NO3/c1-2-13-9(12)7-10-5-3-8(11)4-6-10/h8,11H,2-7H2,1H3
• InChIKey: UDPXIIWXAUGKLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-hydroxypiperidin-1-yl)acetate
• IUPAC Traditional name: ethyl 2-(4-hydroxypiperidin-1-yl)acetate
• Synonyms: ethyl 2-(4-hydroxypiperidin-1-yl)acetate

Database IDs

• MDL Number: MFCD11098210
• PubChem SID: 164327537
• PubChem CID: 28837749

CALCULATED PROPERTIES

• Acid pKa: 15.179246
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5452887
• LogD (pH = 7.4): -0.56185114
• Log P: -0.5110856
• Molar Refractivity: 49.3147 cm^3
• Polarizability: 19.517313 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.05

Product Information

• Purity: 95%