N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine

• ChemBase ID: 166628
• Molecular Formular: C19H23FN2
• Molecular Mass: 298.3977232
• Monoisotopic Mass: 298.18452697
• SMILES: C1CN(CCC1Nc1ccc(cc1)F)CCc1ccccc1
• Canonical SMILES: Fc1ccc(cc1)NC1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C19H23FN2/c20-17-6-8-18(9-7-17)21-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2
• InChIKey: WWDHLOLWLHHFBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine
• Synonyms: N-(4-Fluorophenyl)-1-(2-phenylethyl)-4-piperidinamine; Despropionyl p-Fluoro Fentanyl

Database IDs

• CAS Number: 122861-41-0
• PubChem SID: 162260761
• PubChem CID: 21812144

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.36828277
• LogD (pH = 7.4): 1.9058839
• Log P: 3.6286664
• Molar Refractivity: 91.2869 cm^3
• Polarizability: 34.335163 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Dark Yellow Low Melting Solid

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - D296815

An intermediate in the production of fentanyl analogs.