2-(4-aminopiperidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide dihydrochloride

• ChemBase ID: 55254
• Molecular Formular: C15H25Cl2N3O3
• Molecular Mass: 366.2833
• Monoisotopic Mass: 365.12729704
• SMILES: c1(NC(=O)CN2CCC(CC2)N)cc(ccc1OC)OC.Cl.Cl
• Canonical SMILES: COc1ccc(cc1NC(=O)CN1CCC(CC1)N)OC.Cl.Cl
• InChI: InChI=1S/C15H23N3O3.2ClH/c1-20-12-3-4-14(21-2)13(9-12)17-15(19)10-18-7-5-11(16)6-8-18;;/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19);2*1H
• InChIKey: FQVKVUMIDFELGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide dihydrochloride
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide dihydrochloride
• Synonyms: 2-(4-Aminopiperidin-1-yl)-N-(2,5-dimethoxyphenyl)-acetamide dihydrochloride

Database IDs

• MDL Number: MFCD13857400
• PubChem SID: 162060017
• PubChem CID: 56773518

CALCULATED PROPERTIES

• Acid pKa: 11.800885
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.3797843
• LogD (pH = 7.4): -2.712885
• Log P: -0.15651855
• Molar Refractivity: 82.6582 cm^3
• Polarizability: 31.780231 Å^3
• Polar Surface Area: 76.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false