1-[4-(benzyloxy)phenyl]piperazine

• ChemBase ID: 26816
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: N1(c2ccc(OCc3ccccc3)cc2)CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C17H20N2O/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
• InChIKey: BSYHPGDHIZWPSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(benzyloxy)phenyl]piperazine
• IUPAC Traditional name: 1-[4-(benzyloxy)phenyl]piperazine
• Synonyms: 1-[4-(Benzyloxy)phenyl]piperazine; 1-(4-BENZYLOXY-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 144881-52-7
• MDL Number: MFCD04113541
• PubChem SID: 160990123
• PubChem CID: 2735502

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.09878661
• LogD (pH = 7.4): 1.6055865
• Log P: 3.112163
• Molar Refractivity: 82.3178 cm^3
• Polarizability: 31.769356 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%