(3S,4R)-3-[(1,3-Benzodioxol-5-Yloxy)Methyl]-1-Benzyl-4-(4-Fluorophenyl)Piperidine
[CAS# 105813-14-7]

Identification

• Name: (3S,4R)-3-[(1,3-Benzodioxol-5-Yloxy)Methyl]-1-Benzyl-4-(4-Fluorophenyl)Piperidine
• Synonyms: trans N-Benzyl Paroxetine
• Molecular Formula: C₂₆H₂₆FNO₃
• Molecular Weight: 419.49
• CAS Registry Number: 105813-14-7
• SMILES: c1ccc(cc1)CN2CC[C@H]([C@@H](C2)COc3ccc4c(c3)OCO4)c5ccc(cc5)F
• InChI: 1S/C26H26FNO3/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25/h1-11,14,21,24H,12-13,15-18H2/t21-,24-/m0/s1
• InChIKey: AGTKMLMRHVWXHN-URXFXBBRSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 527.005°C at 760 mmHg (Cal.)
• Flash point: 272.523°C (Cal.)
• Refractive index: 1.596 (Cal.)