2-(4-aminopiperidin-1-yl)-N-methylacetamide dihydrochloride

• ChemBase ID: 264163
• Molecular Formular: C8H19Cl2N3O
• Molecular Mass: 244.16196
• Monoisotopic Mass: 243.0905176
• SMILES: N1(CC(=O)NC)CCC(CC1)N.Cl.Cl
• Canonical SMILES: CNC(=O)CN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C8H17N3O.2ClH/c1-10-8(12)6-11-4-2-7(9)3-5-11;;/h7H,2-6,9H2,1H3,(H,10,12);2*1H
• InChIKey: LSIVHJDFIGMRKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-N-methylacetamide dihydrochloride
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-N-methylacetamide dihydrochloride
• Synonyms: 2-(4-aminopiperidin-1-yl)-N-methylacetamide dihydrochloride

Database IDs

• MDL Number: MFCD13368204
• PubChem SID: 164320073
• PubChem CID: 47002182

CALCULATED PROPERTIES

• Acid pKa: 16.108387
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.953497
• LogD (pH = 7.4): -4.4886622
• Log P: -1.703936
• Molar Refractivity: 48.1734 cm^3
• Polarizability: 18.999018 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.336

Product Information

• Purity: 95%