2-methoxy-N-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 45644
• Molecular Formular: C8H17ClN2O2
• Molecular Mass: 208.68578
• Monoisotopic Mass: 208.09785547
• SMILES: C(=O)(NC1CCNCC1)COC.Cl
• Canonical SMILES: COCC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O2.ClH/c1-12-6-8(11)10-7-2-4-9-5-3-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
• InChIKey: NPULSNCRFDTYSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-methoxy-N-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: 2-Methoxy-N-(4-piperidinyl)acetamide hydrochloride; 2-methoxy-N-(piperidin-4-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD11809617
• PubChem SID: 162050407
• PubChem CID: 42941943

CALCULATED PROPERTIES

• Acid pKa: 15.421524
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.557179
• LogD (pH = 7.4): -3.8728724
• Log P: -1.3369756
• Molar Refractivity: 45.9724 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): -1.427

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%