2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 48853
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: N1(C(=O)C(N)(C)C)CC(CCC1)C.Cl
• Canonical SMILES: CC1CCCN(C1)C(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-8-5-4-6-12(7-8)9(13)10(2,3)11;/h8H,4-7,11H2,1-3H3;1H
• InChIKey: PTAZWBFAZLARCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one hydrochloride
• Synonyms: 2-Amino-2-methyl-1-(3-methyl-1-piperidinyl)-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD13562102
• PubChem SID: 162053616
• PubChem CID: 53409021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0707433
• LogD (pH = 7.4): -0.54329073
• Log P: 0.70980304
• Molar Refractivity: 53.4398 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