2-(3-aminopiperidin-1-yl)acetamide dihydrochloride

• ChemBase ID: 262129
• Molecular Formular: C7H17Cl2N3O
• Molecular Mass: 230.13538
• Monoisotopic Mass: 229.07486754
• SMILES: N1(CC(=O)N)CC(N)CCC1.Cl.Cl
• Canonical SMILES: NC1CCCN(C1)CC(=O)N.Cl.Cl
• InChI: InChI=1S/C7H15N3O.2ClH/c8-6-2-1-3-10(4-6)5-7(9)11;;/h6H,1-5,8H2,(H2,9,11);2*1H
• InChIKey: HEVXWPNDJKIYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminopiperidin-1-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-(3-aminopiperidin-1-yl)acetamide dihydrochloride
• Synonyms: 2-(3-aminopiperidin-1-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD12913080
• PubChem SID: 164318039
• PubChem CID: 45791982

CALCULATED PROPERTIES

• Acid pKa: 16.497839
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7724476
• LogD (pH = 7.4): -3.3846211
• Log P: -1.4702091
• Molar Refractivity: 43.0559 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): -0.818

Product Information

• Purity: 95%