1-[3-(benzyloxy)phenyl]piperazine

• ChemBase ID: 812038
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: C1CNCCN1c1cc(ccc1)OCc1ccccc1
• Canonical SMILES: N1CCN(CC1)c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C17H20N2O/c1-2-5-15(6-3-1)14-20-17-8-4-7-16(13-17)19-11-9-18-10-12-19/h1-8,13,18H,9-12,14H2
• InChIKey: PRIXVHNMFIDGKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(benzyloxy)phenyl]piperazine
• IUPAC Traditional name: 1-[3-(benzyloxy)phenyl]piperazine
• Synonyms: 1-(3-BENZYLOXY-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 756751-75-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1112218
• LogD (pH = 7.4): 1.6339167
• Log P: 3.112163
• Molar Refractivity: 82.3178 cm^3
• Polarizability: 31.770557 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%