methyl piperazine-2-carboxylate

• ChemBase ID: 294328
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: O=C(C1NCCNC1)OC
• Canonical SMILES: COC(=O)C1CNCCN1
• InChI: InChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3
• InChIKey: ODQZNBWVRPKMKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl piperazine-2-carboxylate
• IUPAC Traditional name: methyl piperazine-2-carboxylate
• Synonyms: Methyl piperazine-2-carboxylate

Database IDs

• CAS Number: 2758-98-7
• PubChem SID: 180679859
• PubChem CID: 2760426

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4080415
• LogD (pH = 7.4): -1.6739315
• Log P: -0.8929732
• Molar Refractivity: 36.0478 cm^3
• Polarizability: 14.893834 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%