2-(4-aminopiperidin-1-yl)acetamide dihydrochloride

• ChemBase ID: 34004
• Molecular Formular: C7H17Cl2N3O
• Molecular Mass: 230.13538
• Monoisotopic Mass: 229.07486754
• SMILES: N1(CC(=O)N)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(=O)N.Cl.Cl
• InChI: InChI=1S/C7H15N3O.2ClH/c8-6-1-3-10(4-2-6)5-7(9)11;;/h6H,1-5,8H2,(H2,9,11);2*1H
• InChIKey: JHPZILSPZDCEEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12026966
• PubChem SID: 160997311
• PubChem CID: 46736936

CALCULATED PROPERTIES

• Acid pKa: 16.497852
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.081675
• LogD (pH = 7.4): -4.696664
• Log P: -1.9276121
• Molar Refractivity: 43.2767 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: 2 HCl