(2R)-2-(4-ethylphenyl)piperazine

• ChemBase ID: 807769
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: [C@H]1(CNCCN1)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)[C@H]1NCCNC1
• InChI: InChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3/t12-/m0/s1
• InChIKey: XXPMLIBLWBCOEI-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(4-ethylphenyl)piperazine
• IUPAC Traditional name: (2R)-2-(4-ethylphenyl)piperazine
• Synonyms: (2R)-2-(4-ETHYLPHENYL)PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1267055
• LogD (pH = 7.4): 0.32548925
• Log P: 2.0134234
• Molar Refractivity: 59.3738 cm^3
• Polarizability: 23.670458 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%