2-(oxolan-2-yl)piperazine

• ChemBase ID: 89084
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1CCNCC1C1CCCO1
• Canonical SMILES: C1CNC(CN1)C1CCCO1
• InChI: InChI=1S/C8H16N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h7-10H,1-6H2
• InChIKey: JJTNUGQHEZWBTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-yl)piperazine
• IUPAC Traditional name: 2-(oxolan-2-yl)piperazine
• Synonyms: 2-(Tetrahydrofuran-2-yl)piperazine

Database IDs

• MDL Number: MFCD07783024
• PubChem SID: 162075970
• PubChem CID: 44119402

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.485906
• LogD (pH = 7.4): -2.12573
• Log P: -0.25045073
• Molar Refractivity: 43.3737 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true