- InChI
- InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
- InChI Key
- ZCMDXDQUYIWEKB-UHFFFAOYSA-N
- Formula
- C19H24N2
- SMILES
-
c1ccc(CCN2CCC(Nc3ccccc3)CC2)cc
1 - Molecular Weight1
- 280.41
- CAS
- 21409-26-7
- Other Names
-
- Despropionyl fentanyl
- ANPP
- 4-Piperidinamine, N-phenyl-1-(2-phenylethyl)-
- N-Phenyl-1-(2-phenylethyl)-4-piperidinamine
- 4-anilino-N-phenethylpiperidine ("ANPP" or despropionylfentanyl) -
- 4-Anilino-N-Phenethylpiperidine ("ANPP" or despropionylfentanyl) - from sample -
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5984 | Relay (1.0) Calculated Property | |
| ΔfG° | 442.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 207.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.806 | Crippen Calculated Property | |
| McVol | 240.150 | ml/mol | McGowan Calculated Property |
| Pc | 2183.14 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2529.80; 2529.80] |
|
|
| Inp | 2529.80 | NIST | |
| Inp | 2529.80 | NIST | |
| Tboil | 668.13 | K | Relay (1.0) Calculated Property |
| Tc | 930.86 | K | Relay (1.0) Calculated Property |
| Tfus | 367.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Anilino-N-Phenethylpiperidine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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