Metabolite Despropionylfentanyl
- Name
- Despropionylfentanyl
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Q88EHD0U8G
- CAS number
- Not Available
- Weight
- Average: 280.415
Monoisotopic: 280.193948781 - Chemical Formula
- C19H24N2
- InChI Key
- ZCMDXDQUYIWEKB-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
- IUPAC Name
- N-phenyl-1-(2-phenylethyl)piperidin-4-amine
- SMILES
- C(CC1=CC=CC=C1)N1CCC(CC1)NC1=CC=CC=C1
- Reactions
- Fentanyl Despropionylfentanyl
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 186.9298195 predictedDarkChem Lite v0.1.0 [M-H]- 162.49083 predictedDeepCCS 1.0 (2019) [M+H]+ 187.2273195 predictedDarkChem Lite v0.1.0 [M+H]+ 164.84883 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.9001195 predictedDarkChem Lite v0.1.0 [M+Na]+ 170.94197 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 80209
- ZINC
- ZINC000000272395
- Predicted Properties
Property Value Source Water Solubility 0.0166 mg/mL ALOGPS logP 4.61 ALOGPS logP 3.49 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 9.16 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 91.07 m3·mol-1 Chemaxon Polarizability 34.17 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon