Basic information
- CAS
562-26-5- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCC(O)c2ccccc2)CC1- InChIKey
IPOPQVVNCFQFRK-UHFFFAOYSA-N- Molecular formula
- C23H29NO3
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.21474379
Overview
Phenoperidine is a member of piperidines.
Names & identifiers
- Preferred name
- Phenoperidine
- IUPAC
- ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
- English name
- phenoperidine
- Molecular formula
- C23H29NO3
- Molecular weight
- 367.48
Names & synonyms
PHENOPERIDINEFenoperidinaFenoperidinePhenoperidinumDl-phenoperidine562-26-5R 1406G9BH09J4JW1-(3-Hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl esterR-1406IDS-NP-010NIH 7591
Show more names
IPOPQVVNCFQFRK-UHFFFAOYSA-Nethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
NIH-75914-Piperidinecarboxylic acid, 1-(3-hydroxy-3-phenylpropyl)-4-phenyl-, ethyl esterDTXSID908621991-(3-hydroxy-3-phenyl-propyl)-4-phenyl-isonipecotic acid ethyl esterRefChem:172886DTXCID30810997N01AH04209-229-2
Database identifiers
- CAS
562-26-5- PubChem CID
- 11226
- DTXSID
DTXSID90862199- ChEMBL
CHEMBL2105385- ChEBI
CHEBI:135550- UNII
- G9BH09J4JW
- EC Number
- 209-229-2
- Nikkaji
- J6.500E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 447
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP4.04
Physicochemical properties
- Boiling point
- 508.8 · 508.8±50.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 14.31 · 14.31±0.20(Predicted)
- FDA UNII
- 9 BH09J4JW · G9BH09J4JW
- ATC code
- 1 AH04 · N01AH04
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- DEA Controlled Substances
- 9641 CSA · CSCN: 9641CSA SCH: Schedule INARC: Yes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Safety data
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
- DEA Controlled Substances
- CSCN: 9641CSA SCH: Schedule INARC: Yes
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Phenoperidine is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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