prop-2-en-1-yl 4-[(methylamino)methyl]piperidine-1-carboxylate

• ChemBase ID: 811110
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: C1(CCN(CC1)C(=O)OCC=C)CNC
• Canonical SMILES: CNCC1CCN(CC1)C(=O)OCC=C
• InChI: InChI=1S/C11H20N2O2/c1-3-8-15-11(14)13-6-4-10(5-7-13)9-12-2/h3,10,12H,1,4-9H2,2H3
• InChIKey: BGUIUWPKCZAMNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl 4-[(methylamino)methyl]piperidine-1-carboxylate
• IUPAC Traditional name: prop-2-en-1-yl 4-[(methylamino)methyl]piperidine-1-carboxylate
• Synonyms: 4-METHYLAMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER

Database IDs

• CAS Number: 886365-58-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3598027
• LogD (pH = 7.4): -1.9082668
• Log P: 0.8719637
• Molar Refractivity: 60.02 cm^3
• Polarizability: 23.448618 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%