5-amino-1-methylpiperidin-2-one hydrochloride

• ChemBase ID: 310259
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: N1(C(=O)CCC(C1)N)C.Cl
• Canonical SMILES: NC1CCC(=O)N(C1)C.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c1-8-4-5(7)2-3-6(8)9;/h5H,2-4,7H2,1H3;1H
• InChIKey: JZSNGORVKPJBMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-methylpiperidin-2-one hydrochloride
• IUPAC Traditional name: 5-amino-1-methylpiperidin-2-one hydrochloride
• Synonyms: 5-amino-1-methyl-2-piperidinone hydrochloride

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -4.0711
• LogD (pH = 7.4): -3.059794
• Log P: -1.09315
• Molar Refractivity: 34.7746 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 46.33 Å^2
• H Acceptors: 2