Metabolite nor-butyrfentanyl
- Name
- nor-butyrfentanyl
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 246.354
Monoisotopic: 246.173213336 - Chemical Formula
- C15H22N2O
- InChI Key
- GOXLPDTZAWMNTG-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H22N2O/c1-2-6-15(18)17(13-7-4-3-5-8-13)14-9-11-16-12-10-14/h3-5,7-8,14,16H,2,6,9-12H2,1H3
- IUPAC Name
- N-phenyl-N-(piperidin-4-yl)butanamide
- SMILES
- CCCC(=O)N(C1CCNCC1)C1=CC=CC=C1
- Reactions
- Butyrfentanyl nor-butyrfentanyl
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 157.33635 predictedDeepCCS 1.0 (2019) [M+H]+ 159.69437 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.7875 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 8833454
- ZINC
- ZINC000039151565
- Predicted Properties
Property Value Source Water Solubility 0.496 mg/mL ALOGPS logP 2.35 ALOGPS logP 1.86 Chemaxon logS -2.7 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 4 Chemaxon Refractivity 73.42 m3·mol-1 Chemaxon Polarizability 28.2 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