(2R)-2-[(furan-2-yl)methyl]piperazine

• ChemBase ID: 808072
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: [C@H]1(CNCCN1)Cc1occc1
• Canonical SMILES: C1CN[C@@H](CN1)Cc1ccco1
• InChI: InChI=1S/C9H14N2O/c1-2-9(12-5-1)6-8-7-10-3-4-11-8/h1-2,5,8,10-11H,3-4,6-7H2/t8-/m1/s1
• InChIKey: ALDUFRVDXDUAFB-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(furan-2-yl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-(furan-2-ylmethyl)piperazine
• Synonyms: (R)-2-FURAN-2-YLMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9662905
• LogD (pH = 7.4): -1.5073421
• Log P: 0.17563973
• Molar Refractivity: 46.9879 cm^3
• Polarizability: 18.644855 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%