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enzymes (1)
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Identification
Name 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine
Accession Number DB01562
Type small molecule
Groups illicit, experimental
Description

1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine (PEPAP) is a synthetic analogue of meperidine. It is sold as a “synthetic heroin.”
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
1-(2-Phenethyl)-4-phenyl-4-acetoxypiperidine
1-phenethyl-4-phenyl-4-piperidinol acetate
DEA No. 9663
PEPAP
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 64-52-8
Weight Average: 323.4287
Monoisotopic: 323.188529049
Chemical Formula C21H25NO2
InChI Key InChIKey=BVURVTVDNWSNFN-UHFFFAOYSA-N
InChI
InChI=1S/C21H25NO2/c1-18(23)24-21(20-10-6-3-7-11-20)13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
Plain Text
IUPAC Name
4-phenyl-1-(2-phenylethyl)piperidin-4-yl acetate
SMILES
CC(=O)OC1(CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms
  • Humans and other mammals
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 5.92e-03 g/l ALOGPS
logP 4.18 ALOGPS
logP 3.61 ChemAxon
logS -4.7 ALOGPS
pKa (strongest basic) 9.24 ChemAxon
physiological charge 1 ChemAxon
hydrogen acceptor count 2 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 29.54 ChemAxon
rotatable bond count 6 ChemAxon
refractivity 96.73 ChemAxon
polarizability 37.55 ChemAxon
References
Synthesis Reference Not Available
General Reference
  1. Pritzker D, Kanungo A, Kilicarslan T, Tyndale RF, Sellers EM: Designer drugs that are potent inhibitors of CYP2D6. J Clin Psychopharmacol. 2002 Jun;22(3):330-2. Pubmed
External Links
Resource Link
PubChem Compound 60977 Link_out
PubChem Substance 46505389 Link_out
ChemSpider 54939 Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries Not Available
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Enzymes

1. Cytochrome P450 2D6

Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants

UniProt ID: P10635 Link_out
Gene: CYP2D6 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out
Comments
Drug created on July 31, 2007 07:10 / Updated on February 08, 2013 16:20