2-(4-hydroxypiperidin-1-yl)acetic acid hydrochloride

• ChemBase ID: 261740
• Molecular Formular: C7H14ClNO3
• Molecular Mass: 195.64396
• Monoisotopic Mass: 195.06622099
• SMILES: N1(CC(=O)O)CCC(CC1)O.Cl
• Canonical SMILES: OC1CCN(CC1)CC(=O)O.Cl
• InChI: InChI=1S/C7H13NO3.ClH/c9-6-1-3-8(4-2-6)5-7(10)11;/h6,9H,1-5H2,(H,10,11);1H
• InChIKey: DTYCWLRBDHSBIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxypiperidin-1-yl)acetic acid hydrochloride
• IUPAC Traditional name: (4-hydroxypiperidin-1-yl)acetic acid hydrochloride
• Synonyms: 2-(4-hydroxypiperidin-1-yl)acetic acid hydrochloride

Database IDs

• MDL Number: MFCD12912971
• PubChem SID: 164317650
• PubChem CID: 45791881

CALCULATED PROPERTIES

• Acid pKa: 1.6338705
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.743021
• LogD (pH = 7.4): -3.7460349
• Log P: -3.743072
• Molar Refractivity: 39.797 cm^3
• Polarizability: 15.618866 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.382

Product Information

• Purity: 95%