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

• ChemBase ID: 124420
• Molecular Formular: C14H23Cl2N3O
• Molecular Mass: 320.25792
• Monoisotopic Mass: 319.12181773
• SMILES: N1(CC(=O)NCc2ccccc2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CC(=O)NCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C14H21N3O.2ClH/c15-13-6-8-17(9-7-13)11-14(18)16-10-12-4-2-1-3-5-12;;/h1-5,13H,6-11,15H2,(H,16,18);2*1H
• InChIKey: HHELTSGNCSIXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218773
• PubChem CID: 51051988

CALCULATED PROPERTIES

• Acid pKa: 15.70184
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0025363
• LogD (pH = 7.4): -2.7313254
• Log P: 0.02053714
• Molar Refractivity: 72.786 cm^3
• Polarizability: 28.596457 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl