methyl (2R)-1-benzylpiperazine-2-carboxylate

• ChemBase ID: 799825
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: [C@@H]1(CNCCN1Cc1ccccc1)C(=O)OC
• Canonical SMILES: COC(=O)[C@H]1CNCCN1Cc1ccccc1
• InChI: InChI=1S/C13H18N2O2/c1-17-13(16)12-9-14-7-8-15(12)10-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3/t12-/m1/s1
• InChIKey: SQXCAHIDKZNQFO-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-1-benzylpiperazine-2-carboxylate
• IUPAC Traditional name: methyl (2R)-1-benzylpiperazine-2-carboxylate
• Synonyms: (R)-methyl 1-benzylpiperazine-2-carboxylate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3232986
• LogD (pH = 7.4): 0.4116124
• Log P: 1.2145479
• Molar Refractivity: 65.9551 cm^3
• Polarizability: 26.304533 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%