Basic information
- CAS
13147-09-6- Standard SMILES
CCC(=O)OC1(c2ccccc2)CCN(C)CC1- InChIKey
BCQMRZRAWHNSBF-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Overview
Desmethylprodine is an organic molecular entity. It has a role as an opioid analgesic.
Names & identifiers
- Preferred name
- 4-propionyloxy-4-phenyl-N-methylpiperidine
- IUPAC
- (1-methyl-4-phenylpiperidin-4-yl) propanoate
- English name
- 4-propionyloxy-4-phenyl-N-methylpiperidine
- Molecular formula
- C15H21NO2
- Molecular weight
- 247.33
Names & synonyms
PPMP4-PROPIONYLOXY-4-PHENYL-N-METHYLPIPERIDINERefChem:132253Desmethylprodine3-DemethylprodineMPPP13147-09-61-Methyl-4-phenyl-4-propionoxypiperidineSynthetic heroin1-Methyl-4-phenyl-4-piperidinol propionateIK 13UNII-07SGC963IR
Show more names
4-PROPIONYLOXY-4-PHEDesmethylprodine, MPPPBCQMRZRAWHNSBF-UHFFFAOYSA-N(1-methyl-4-phenyl-4-piperidyl) propanoate1-Methyl-4-phenylpiperidin-4-ol propanoate1-Methyl-4-phenyl-4-piperidinol propanoate1-Methyl-4-phenyl-4-(propionyloxy)piperidine
(1-methyl-4-phenylpiperidin-4-yl) propanoate07SGC963IR4-Piperidinol, 1-methyl-4-phenyl-, propanoate (ester)DEA No. 9661Propionic acid, 1-methyl-4-phenyl-4-piperidyl esterNCGC00247683-01DTXSID801570611-Methyl-4-phenylpiperidin-4-yl propanoate
Database identifiers
- CAS
13147-09-6- PubChem CID
- 61583
- DTXSID
DTXSID80157061- ChEMBL
CHEMBL279865- ChEBI
CHEBI:233164- UNII
- 07SGC963IR
- Nikkaji
- J276.357E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 182 · 182-183 °C(Solv: acetone (67-64-1))
- Boiling point
- 115 · 115-117 °C(Press: 0.75 Torr)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.10(Predicted)
- FDA UNII
- 7 SGC963IR · 07SGC963IR
- DEA Controlled Substances
- 9661 CSA · CSCN: 9661CSA SCH: Schedule INARC: Yes
Safety & regulation
Hazard information
Regulatory InformationDEA schedule I controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 9661CSA SCH: Schedule INARC: Yes
Related reactions
3 records
Compound notes
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