2-amino-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 48854
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(N1CCC(CC1)C)C(N)(C)C.Cl
• Canonical SMILES: CC1CCN(CC1)C(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-8-4-6-12(7-5-8)9(13)10(2,3)11;/h8H,4-7,11H2,1-3H3;1H
• InChIKey: UCVBIGBMXWWRLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one hydrochloride
• Synonyms: 2-Amino-2-methyl-1-(4-methyl-1-piperidinyl)-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD13562103
• PubChem SID: 162053617
• PubChem CID: 53409024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1486993
• LogD (pH = 7.4): -0.62124926
• Log P: 0.6318493
• Molar Refractivity: 53.5168 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false