Metabolite norfentanyl
- Name
- norfentanyl
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 2MK6D8JV6J
- CAS number
- Not Available
- Weight
- Average: 232.3214
Monoisotopic: 232.157563272 - Chemical Formula
- C14H20N2O
- InChI Key
- PMCBDBWCQQBSRJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3
- IUPAC Name
- N-phenyl-N-(piperidin-4-yl)propanamide
- SMILES
- CCC(=O)N(C1CCNCC1)C1=CC=CC=C1
- Reactions
- Fentanyl norfentanyl
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 164.3016087 predictedDarkChem Lite v0.1.0 [M-H]- 163.7890087 predictedDarkChem Lite v0.1.0 [M-H]- 150.54744 predictedDeepCCS 1.0 (2019) [M+H]+ 164.5476087 predictedDarkChem Lite v0.1.0 [M+H]+ 164.3510087 predictedDarkChem Lite v0.1.0 [M+H]+ 152.90544 predictedDeepCCS 1.0 (2019) [M+Na]+ 164.2899087 predictedDarkChem Lite v0.1.0 [M+Na]+ 164.2474087 predictedDarkChem Lite v0.1.0 [M+Na]+ 158.99858 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0061006
- ChemSpider
- 227671
- BindingDB
- 50505668
- ChEBI
- 62685
- ChEMBL
- CHEMBL3560524
- ZINC
- ZINC000001574929
- Wikipedia
- Norfentanyl
- Predicted Properties
Property Value Source Water Solubility 0.95 mg/mL ALOGPS logP 2 ALOGPS logP 1.42 Chemaxon logS -2.4 ALOGPS pKa (Strongest Basic) 10.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 32.34 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 68.82 m3·mol-1 Chemaxon Polarizability 26.33 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon