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

• ChemBase ID: 811102
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: C1(CCN(CC1)C(=O)OCC=C)NC
• Canonical SMILES: CNC1CCN(CC1)C(=O)OCC=C
• InChI: InChI=1S/C10H18N2O2/c1-3-8-14-10(13)12-6-4-9(11-2)5-7-12/h3,9,11H,1,4-8H2,2H3
• InChIKey: IZXUVIRBRUYSMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 686320-62-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8207736
• LogD (pH = 7.4): -2.37936
• Log P: 0.41136295
• Molar Refractivity: 55.202 cm^3
• Polarizability: 21.60978 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%