N-(4-ethoxyphenyl)-2-(piperazin-1-yl)acetamide hydrochloride

• ChemBase ID: 239717
• Molecular Formular: C14H22ClN3O2
• Molecular Mass: 299.79638
• Monoisotopic Mass: 299.14005464
• SMILES: C(=O)(Nc1ccc(cc1)OCC)CN1CCNCC1.Cl
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CN1CCNCC1.Cl
• InChI: InChI=1S/C14H21N3O2.ClH/c1-2-19-13-5-3-12(4-6-13)16-14(18)11-17-9-7-15-8-10-17;/h3-6,15H,2,7-11H2,1H3,(H,16,18);1H
• InChIKey: ZOMMNVYUACTHSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxyphenyl)-2-(piperazin-1-yl)acetamide hydrochloride
• IUPAC Traditional name: N-(4-ethoxyphenyl)-2-(piperazin-1-yl)acetamide hydrochloride
• Synonyms: N-(4-ethoxyphenyl)-2-(piperazin-1-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD05656305
• PubChem SID: 164295627
• PubChem CID: 71756448

CALCULATED PROPERTIES

• Acid pKa: 13.981035
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2547834
• LogD (pH = 7.4): -0.75383246
• Log P: 0.765663
• Molar Refractivity: 76.3172 cm^3
• Polarizability: 29.255259 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.492

Product Information

• Purity: 95%