Metabolite Hydroxyfentanyl
- Name
- Hydroxyfentanyl
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 352.478
Monoisotopic: 352.21507815 - Chemical Formula
- C22H28N2O2
- InChI Key
- BXGSQUNMZMHPKS-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H28N2O2/c25-18-14-22(26)24(20-9-5-2-6-10-20)21-12-16-23(17-13-21)15-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2
- IUPAC Name
- 3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
- SMILES
- OCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
- Reactions
- Fentanyl Hydroxyfentanyl
- Hydroxyfentanyl Hydroxynorfentanyl
- Fentanyl Hydroxyfentanyl
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 207.0541361 predictedDarkChem Lite v0.1.0 [M-H]- 179.86009 predictedDeepCCS 1.0 (2019) [M+H]+ 206.7348361 predictedDarkChem Lite v0.1.0 [M+H]+ 182.21811 predictedDeepCCS 1.0 (2019) [M+Na]+ 206.4962361 predictedDarkChem Lite v0.1.0 [M+Na]+ 189.84969 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 32816608
- ZINC
- ZINC000065742820
- Predicted Properties
Property Value Source Water Solubility 0.0825 mg/mL ALOGPS logP 3.01 ALOGPS logP 2.53 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 15.77 Chemaxon pKa (Strongest Basic) 8.77 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.78 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 105.26 m3·mol-1 Chemaxon Polarizability 40.82 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon