methyl 2-(4-amino-1-methylpiperidin-4-yl)acetate

• ChemBase ID: 286489
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C(C1(CCN(CC1)C)N)C(=O)OC
• Canonical SMILES: COC(=O)CC1(N)CCN(CC1)C
• InChI: InChI=1S/C9H18N2O2/c1-11-5-3-9(10,4-6-11)7-8(12)13-2/h3-7,10H2,1-2H3
• InChIKey: OLEPVAALUOKPDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-amino-1-methylpiperidin-4-yl)acetate
• IUPAC Traditional name: methyl 2-(4-amino-1-methylpiperidin-4-yl)acetate
• Synonyms: methyl 2-(4-amino-1-methylpiperidin-4-yl)acetate

Database IDs

• MDL Number: MFCD20718719
• PubChem SID: 180672020
• PubChem CID: 69154738

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.9539833
• LogD (pH = 7.4): -3.5503945
• Log P: -0.81399393
• Molar Refractivity: 50.8126 cm^3
• Polarizability: 20.40019 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.521

Product Information

• Purity: 95%