Basic information
- CAS
64-52-8- Standard SMILES
CC(=O)OC1(c2ccccc2)CCN(CCc2ccccc2)CC1- InChIKey
BVURVTVDNWSNFN-UHFFFAOYSA-N- Molecular formula
- C21H25NO2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.18852904
Overview
PEPAP is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Opiates substance.
Names & identifiers
- Preferred name
- 1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
- IUPAC
- [4-phenyl-1-(2-phenylethyl)piperidin-4-yl] acetate
- English name
- Acetic acid 1-phenethyl-4-phenyl-4-piperidinyl ester
- Molecular formula
- C21H25NO2
- Molecular weight
- 323.43
Names & synonyms
PEPAP1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine64-52-8MCV 4527NIH 104601-(2-Phenethyl)-4-phenyl-4-acetoxypiperidineDTXSID50489221-Phenethyl-4-phenyl-4-piperidinol acetate (ester)4-Piperidinol, 1-phenethyl-4-phenyl-, acetate (ester)BRN 0292398T6LN72I8284-Piperidinol, 4-phenyl-1-(2-phenylethyl)-, acetate (ester)
Show more names
MCV-4527NIH-10460BVURVTVDNWSNFN-UHFFFAOYSA-N4-Phenyl-1-(2-phenylethyl)-4-piperidinol acetateAcetic acid 1-phenethyl-4-phenyl-4-piperidinyl ester4-Piperidinol, 4-phenyl-1-(2-phenylethyl)-, 4-acetate
4-phenyl-1-(2-phenylethyl)piperidin-4-yl acetateIDS-NP-026DTXCID8028848IDS-NP-026(SECT.3)1-(-2-PHENETHYL)-4-PHENYL-4-ACETOXYPIPERIDINE1-PHENETHYL-4-PHENYL-4-PIPERIDINOL ACETATE(ESTER)RefChem:419156NCGC00247684-01
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Drugs
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 431.8 · 431.8±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 8.24 · 8.24±0.10(Predicted)
- FDA UNII
- 6 LN72I828 · T6LN72I828
- DEA Controlled Substances
- 9663 CSA · CSCN: 9663CSA 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
- DEA Controlled Substances
- CSCN: 9663CSA SCH: Schedule INARC: Yes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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