2-hydroxy-2-(piperidin-4-yl)acetamide

• ChemBase ID: 282342
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(C(C1CCNCC1)O)N
• Canonical SMILES: OC(C(=O)N)C1CCNCC1
• InChI: InChI=1S/C7H14N2O2/c8-7(11)6(10)5-1-3-9-4-2-5/h5-6,9-10H,1-4H2,(H2,8,11)
• InChIKey: QHXBYIPELPYAMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: 2-hydroxy-2-(piperidin-4-yl)acetamide
• Synonyms: 2-hydroxy-2-(piperidin-4-yl)acetamide

Database IDs

• MDL Number: MFCD17977214
• PubChem SID: 180667873
• PubChem CID: 50989579

CALCULATED PROPERTIES

• Acid pKa: 12.944655
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.732308
• LogD (pH = 7.4): -3.8279495
• Log P: -1.5312212
• Molar Refractivity: 40.8878 cm^3
• Polarizability: 16.280312 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.565

Product Information

• Purity: 95%