ethyl 4-hydroxypiperidine-4-carboxylate hydrochloride

• ChemBase ID: 277727
• Molecular Formular: C8H16ClNO3
• Molecular Mass: 209.67054
• Monoisotopic Mass: 209.08187106
• SMILES: C(=O)(C1(CCNCC1)O)OCC.Cl
• Canonical SMILES: CCOC(=O)C1(O)CCNCC1.Cl
• InChI: InChI=1S/C8H15NO3.ClH/c1-2-12-7(10)8(11)3-5-9-6-4-8;/h9,11H,2-6H2,1H3;1H
• InChIKey: ACLZEAUJYYQHMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-hydroxypiperidine-4-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 4-hydroxypiperidine-4-carboxylate hydrochloride
• Synonyms: ethyl 4-hydroxypiperidine-4-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD19982410
• PubChem SID: 164333637
• PubChem CID: 53621865

CALCULATED PROPERTIES

• Acid pKa: 12.286127
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7212594
• LogD (pH = 7.4): -2.2778952
• Log P: -0.6659864
• Molar Refractivity: 44.0598 cm^3
• Polarizability: 17.686373 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): -0.466

Product Information

• Purity: 95%