(3S,4R)-3-(1,3-Benzodioxol-5-Yloxymethyl)-4-(4-Fluorophenyl)-1-(3-Fluoropropyl)Piperidine
[CAS# 138135-14-5]

Identification

• Name: (3S,4R)-3-(1,3-Benzodioxol-5-Yloxymethyl)-4-(4-Fluorophenyl)-1-(3-Fluoropropyl)Piperidine
• Synonyms: 3-Nfpp; N-(3-(18F)Fluoropropyl)Paroxetine; N-(3-Fluoropropyl)Paroxetine
• Molecular Formula: C₂₂H₂₅F₂NO₃
• Molecular Weight: 389.44
• CAS Registry Number: 138135-14-5
• SMILES: [C@H]4(C1=CC=C(F)C=C1)[C@H](COC2=CC3=C(C=C2)OCO3)CN(CC4)CCCF
• InChI: 1S/C22H25F2NO3/c23-9-1-10-25-11-8-20(16-2-4-18(24)5-3-16)17(13-25)14-26-19-6-7-21-22(12-19)28-15-27-21/h2-7,12,17,20H,1,8-11,13-15H2/t17-,20-/m0/s1
• InChIKey: FUCBTTRMHIHFNU-PXNSSMCTSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 482.885°C at 760 mmHg (Cal.)
• Flash point: 245.84°C (Cal.)