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

• ChemBase ID: 55255
• Molecular Formular: C15H25Cl2N3O3
• Molecular Mass: 366.2833
• Monoisotopic Mass: 365.12729704
• SMILES: C(=O)(Nc1c(cc(cc1)OC)OC)CN1CCC(CC1)N.Cl.Cl
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)CN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C15H23N3O3.2ClH/c1-20-12-3-4-13(14(9-12)21-2)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: COSBEPDWFFIAOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13857399
• PubChem SID: 162060018
• PubChem CID: 56773519

CALCULATED PROPERTIES

• Acid pKa: 12.304525
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.406229
• LogD (pH = 7.4): -2.7140086
• Log P: -0.114801794
• Molar Refractivity: 82.6582 cm^3
• Polarizability: 31.780457 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