ethyl 1-benzylpiperazine-2-carboxylate hydrochloride

• ChemBase ID: 805353
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: Cl.C1(CNCCN1Cc1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CNCCN1Cc1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O2.ClH/c1-2-18-14(17)13-10-15-8-9-16(13)11-12-6-4-3-5-7-12;/h3-7,13,15H,2,8-11H2,1H3;1H
• InChIKey: JDSDILWJTQGNOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-benzylpiperazine-2-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 1-benzylpiperazine-2-carboxylate hydrochloride
• Synonyms: ETHYL 1-BENZYL-PIPERAZINE-2-CARBOXYLATE HCL

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9660465
• LogD (pH = 7.4): 0.76880294
• Log P: 1.5713558
• Molar Refractivity: 70.7037 cm^3
• Polarizability: 28.147388 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%