- InChI
- InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
- InChI Key
- YSXKPIUOCJLQIE-UHFFFAOYSA-N
- Formula
- C21H29NO
- SMILES
-
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C
=CC1C2 - Molecular Weight1
- 311.46
- CAS
- 514-65-8
- Other Names
-
- 1-Piperidinepropanol, «alpha»-bicyclo[2.2.1]hept-5-en-2-yl-«alpha»-phenyl-
- 1-Piperidinepropanol, «alpha»-5-norbornen-2-yl-«alpha»-phenyl-
- Akineton
- Beperiden
- Bicyclo[2.2.1]hept-5-ene-2-methanol, «alpha»-phenyl-«alpha»-[2-(1-piperidinyl)ethyl]-
- Biperidine
- KL 373
- «alpha»-(Bicyclo(2.2.1)hept-5-en-2-yl)-«alpha»-phenyl-1-piperidino propanol
- 1-Bicycloheptenyl-1-phenyl-3-piperidino-propanol-1
- 5-Norbornene-2-methanol, «alpha»-phenyl-«alpha»-(2-piperidinoethyl)-
- 3-Piperidino-1-phenyl-1-bicyclo(2.2.1)hepten-(5)-yl-propanol-(1)
- 3-Piperidino-1-phenyl-1-bicycloheptenyl-1-propanol
- «alpha»-5-Norbornen-2-yl-«alpha»-phenyl-1-piperidinepropanol
- 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 | 0.7116 | Relay (1.0) Calculated Property | |
| ΔfG° | 254.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -110.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.962 | Crippen Calculated Property | |
| McVol | 261.960 | ml/mol | McGowan Calculated Property |
| Pc | 1313.40 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2245.00; 2300.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2245.00 | NIST | |
| Tboil | 665.19 | K | Relay (1.0) Calculated Property |
| Tc | 937.57 | K | Relay (1.0) Calculated Property |
| Tfus | 427.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Biperiden.
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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