(2S)-2-(3-methoxyphenyl)piperazine

• ChemBase ID: 807805
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: [C@@H]1(CNCCN1)c1cc(ccc1)OC
• Canonical SMILES: COc1cccc(c1)[C@H]1CNCCN1
• InChI: InChI=1S/C11H16N2O/c1-14-10-4-2-3-9(7-10)11-8-12-5-6-13-11/h2-4,7,11-13H,5-6,8H2,1H3/t11-/m1/s1
• InChIKey: SAQIBFOALNPYFY-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(3-methoxyphenyl)piperazine
• IUPAC Traditional name: (2S)-2-(3-methoxyphenyl)piperazine
• Synonyms: (2S)-2-(3-METHOXYPHENYL)PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1882524
• LogD (pH = 7.4): -0.6842354
• Log P: 0.8977621
• Molar Refractivity: 56.1948 cm^3
• Polarizability: 22.542477 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%