(2S)-2-(furan-2-yl)piperazine

• ChemBase ID: 807900
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: [C@H]1(CNCCN1)c1occc1
• Canonical SMILES: C1CN[C@@H](CN1)c1ccco1
• InChI: InChI=1S/C8H12N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2/t7-/m0/s1
• InChIKey: LOKVZWIGUJYFLY-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(furan-2-yl)piperazine
• IUPAC Traditional name: (2S)-2-(furan-2-yl)piperazine
• Synonyms: (S)-2-FURAN-2-YL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.661118
• LogD (pH = 7.4): -0.96939945
• Log P: 0.11568
• Molar Refractivity: 42.1225 cm^3
• Polarizability: 16.876715 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%