N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride

• ChemBase ID: 55241
• Molecular Formular: C14H23Cl2N3O3
• Molecular Mass: 352.25672
• Monoisotopic Mass: 351.11164697
• SMILES: C(=O)(Nc1c(cc(cc1)OC)OC)CN1CCNCC1.Cl.Cl
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C14H21N3O3.2ClH/c1-19-11-3-4-12(13(9-11)20-2)16-14(18)10-17-7-5-15-6-8-17;;/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18);2*1H
• InChIKey: OEMPLEDUHJJVCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride
• Synonyms: N-(2,4-Dimethoxyphenyl)-2-piperazin-1-ylacetamide dihydrochloride

Database IDs

• MDL Number: MFCD13857440
• PubChem SID: 162060004
• PubChem CID: 56773507

CALCULATED PROPERTIES

• Acid pKa: 12.299448
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.767861
• LogD (pH = 7.4): -1.2671391
• Log P: 0.25118378
• Molar Refractivity: 78.0318 cm^3
• Polarizability: 29.942049 Å^3
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false