4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine

Base Information

• Chemical Name: 4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine
• CAS No.: 112058-89-6
• Molecular Formula: C19H22FNO3
• Molecular Weight: 331.38
• DSSTox Substance ID: DTXSID40697115
• Nikkaji Number: J2.005.136A
• Mol file: 112058-89-6.mol

Synonyms:112058-89-6;4-(4-FLUOROPHENYL)-3-(4-METHOXY-3-HYDROXYPHENOXYMETHYL)PIPERIDINE;5-[[4-(4-fluorophenyl)piperidin-3-yl]methoxy]-2-methoxyphenol;(3S-trans)-5-[[4-(4-Fluorophenyl)-3-piperidinyl]methoxy]-2-methoxyphenol(Paroxetine Metabolite);5-{[4-(4-FLUOROPHENYL)PIPERIDIN-3-YL]METHOXY}-2-METHOXYPHENOL;SCHEMBL18428921;DTXSID40697115;HEJVUVGUVCOISV-UHFFFAOYSA-N;AKOS015914492;FT-0668726;4-(4-Fluorophenyl)-3-(3-hydroxy-4-methoxyphenoxymethyl)piperidine

Chemical Property of 4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine

Chemical Property:

• Melting Point: 71-73°C
• Refractive Index: 1.551
• Boiling Point: 488.9 °C at 760 mmHg
• PKA: 9.56±0.10(Predicted)
• Flash Point: 249.5 °C
• PSA: 50.72000
• Density: 1.171 g/cm³
• LogP: 3.64080
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 331.15837173
• Heavy Atom Count: 24
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

(3S-trans)-5-[[4-(4-Fluorophenyl)-3-piperidinyl]methoxy]-2-methoxyphenol(ParoxetineMetabolite) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)OCC2CNCCC2C3=CC=C(C=C3)F)O
• Uses: A metabolite of Paroxetine.