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

• ChemBase ID: 55259
• Molecular Formular: C12H25Cl2N3O
• Molecular Mass: 298.2524
• Monoisotopic Mass: 297.1374678
• SMILES: C(=O)(NC1CCCC1)CN1CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(=O)NC1CCCC1.Cl.Cl
• InChI: InChI=1S/C12H23N3O.2ClH/c13-10-5-7-15(8-6-10)9-12(16)14-11-3-1-2-4-11;;/h10-11H,1-9,13H2,(H,14,16);2*1H
• InChIKey: QRDYTICCGCXZPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13857404
• PubChem SID: 162060022
• PubChem CID: 56773523

CALCULATED PROPERTIES

• Acid pKa: 15.86871
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.3189917
• LogD (pH = 7.4): -3.095313
• Log P: -0.3492341
• Molar Refractivity: 64.5866 cm^3
• Polarizability: 25.634712 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false