2-(piperidin-4-yloxy)acetamide hydrochloride

• ChemBase ID: 285471
• Molecular Formular: C7H15ClN2O2
• Molecular Mass: 194.6592
• Monoisotopic Mass: 194.08220541
• SMILES: C(=O)(COC1CCNCC1)N.Cl
• Canonical SMILES: NC(=O)COC1CCNCC1.Cl
• InChI: InChI=1S/C7H14N2O2.ClH/c8-7(10)5-11-6-1-3-9-4-2-6;/h6,9H,1-5H2,(H2,8,10);1H
• InChIKey: NOBXYIDTANDOKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)acetamide hydrochloride
• IUPAC Traditional name: 2-(piperidin-4-yloxy)acetamide hydrochloride
• Synonyms: 2-(piperidin-4-yloxy)acetamide hydrochloride

Database IDs

• MDL Number: MFCD20731266
• PubChem SID: 180671002
• PubChem CID: 56828174

CALCULATED PROPERTIES

• Acid pKa: 16.03469
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7805853
• LogD (pH = 7.4): -4.092159
• Log P: -1.5606517
• Molar Refractivity: 41.0757 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.694

Product Information

• Purity: 95%