Metabolite norfentanyl

Name
norfentanyl
Description
Not Available
Structure
Thumb
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
Human Metabolome Database
HMDB0061006
ChemSpider
227671
BindingDB
50505668
ChEBI
62685
ChEMBL
CHEMBL3560524
ZINC
ZINC000001574929
Predicted Properties
PropertyValueSource
Water Solubility0.95 mg/mLALOGPS
logP2ALOGPS
logP1.42ChemAxon
logS-2.4ALOGPS
pKa (Strongest Basic)10.03ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area32.34 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity68.82 m3·mol-1ChemAxon
Polarizability26.46 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon