1,4-bis(furan-2-carbonyl)piperazine hydrochloride

• ChemBase ID: 14663
• Molecular Formular: C14H15ClN2O4
• Molecular Mass: 310.7329
• Monoisotopic Mass: 310.07203465
• SMILES: N1(C(=O)c2ccco2)CCN(CC1)C(=O)c1ccco1.Cl
• Canonical SMILES: O=C(c1ccco1)N1CCN(CC1)C(=O)c1ccco1.Cl
• InChI: InChI=1S/C14H14N2O4.ClH/c17-13(11-3-1-9-19-11)15-5-7-16(8-6-15)14(18)12-4-2-10-20-12;/h1-4,9-10H,5-8H2;1H
• InChIKey: NHXORXGXCYFQFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(furan-2-carbonyl)piperazine hydrochloride
• IUPAC Traditional name: 1,4-bis(furan-2-carbonyl)piperazine hydrochloride
• Synonyms: [4-(Furan-2-carbonyl)-piperazin-1-yl]-furan-2-yl-methanone hydrochloride

Database IDs

• MDL Number: MFCD06800774
• PubChem SID: 160977970
• PubChem CID: 45074888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.31991988
• LogD (pH = 7.4): 0.31991988
• Log P: 0.31991988
• Molar Refractivity: 70.7034 cm^3
• Polarizability: 26.086035 Å^3
• Polar Surface Area: 66.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false