prop-2-en-1-yl piperazine-1-carboxylate

• ChemBase ID: 811103
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: C1CNCCN1C(=O)OCC=C
• Canonical SMILES: C=CCOC(=O)N1CCNCC1
• InChI: InChI=1S/C8H14N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h2,9H,1,3-7H2
• InChIKey: LADGKZHBIXGYKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl piperazine-1-carboxylate
• IUPAC Traditional name: prop-2-en-1-yl piperazine-1-carboxylate
• Synonyms: PIPERAZINE-1-CARBOXYLIC ACID ALLYL ESTER

Database IDs

• CAS Number: 55389-48-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0368114
• LogD (pH = 7.4): -0.3239568
• Log P: 0.2316764
• Molar Refractivity: 45.801 cm^3
• Polarizability: 17.936378 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%