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

• ChemBase ID: 811718
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: O(C(=O)C(C1CCN(CC1)c1ccccc1)N)C
• Canonical SMILES: COC(=O)C(C1CCN(CC1)c1ccccc1)N
• InChI: InChI=1S/C14H20N2O2/c1-18-14(17)13(15)11-7-9-16(10-8-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10,15H2,1H3
• InChIKey: DZGSDEYDHPFMLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-(1-phenylpiperidin-4-yl)acetate
• IUPAC Traditional name: methyl 2-amino-2-(1-phenylpiperidin-4-yl)acetate
• Synonyms: METHYL 2-AMINO-2-(1-PHENYLPIPERIDIN-4-YL)ACETATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6383904
• LogD (pH = 7.4): 1.2522962
• Log P: 1.5889019
• Molar Refractivity: 71.2854 cm^3
• Polarizability: 27.762169 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%