1-[2-(benzyloxy)phenyl]piperazine

• ChemBase ID: 812039
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: C1CNCCN1c1c(cccc1)OCc1ccccc1
• Canonical SMILES: N1CCN(CC1)c1ccccc1OCc1ccccc1
• InChI: InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
• InChIKey: PPQUPQGZDGZYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(benzyloxy)phenyl]piperazine
• IUPAC Traditional name: 1-[2-(benzyloxy)phenyl]piperazine
• Synonyms: 1-(2-BENZYLOXY-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 96221-84-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12422389
• LogD (pH = 7.4): 1.6623636
• Log P: 3.112163
• Molar Refractivity: 82.3178 cm^3
• Polarizability: 31.771593 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%