1-(4-phenoxybutyl)piperazine

• ChemBase ID: 73889
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: O(c1ccccc1)CCCCN1CCNCC1
• Canonical SMILES: N1CCN(CC1)CCCCOc1ccccc1
• InChI: InChI=1S/C14H22N2O/c1-2-6-14(7-3-1)17-13-5-4-10-16-11-8-15-9-12-16/h1-3,6-7,15H,4-5,8-13H2
• InChIKey: DYNWNUHSYNOCEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenoxybutyl)piperazine
• IUPAC Traditional name: 1-(4-phenoxybutyl)piperazine
• Synonyms: 1-(4-Phenoxybutyl)piperazine 97%

Database IDs

• MDL Number: MFCD03844731
• PubChem SID: 162038808
• PubChem CID: 409554

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.516382
• LogD (pH = 7.4): -0.16345087
• Log P: 1.8756131
• Molar Refractivity: 70.8057 cm^3
• Polarizability: 28.084768 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant