N-(4-phenoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride

• ChemBase ID: 55248
• Molecular Formular: C18H23Cl2N3O2
• Molecular Mass: 384.30012
• Monoisotopic Mass: 383.11673235
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)CN1CCNCC1.Cl.Cl
• Canonical SMILES: O=C(Nc1ccc(cc1)Oc1ccccc1)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C18H21N3O2.2ClH/c22-18(14-21-12-10-19-11-13-21)20-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16;;/h1-9,19H,10-14H2,(H,20,22);2*1H
• InChIKey: JUFGATHGCMHFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-phenoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride
• IUPAC Traditional name: N-(4-phenoxyphenyl)-2-(piperazin-1-yl)acetamide dihydrochloride
• Synonyms: N-(4-Phenoxyphenyl)-2-piperazin-1-ylacetamide dihydrochloride

Database IDs

• MDL Number: MFCD13857449
• PubChem SID: 162060011
• PubChem CID: 56773514

CALCULATED PROPERTIES

• Acid pKa: 13.853469
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9534822
• LogD (pH = 7.4): 0.5474444
• Log P: 2.0668135
• Molar Refractivity: 91.3462 cm^3
• Polarizability: 35.229733 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false