Physicochemical Properties
| Molecular Formula | C14H21NO |
| Molecular Weight | 219.32 |
| Exact Mass | 219.162 |
| CAS # | 85976-54-1 |
| Related CAS # | Preclamol hydrochloride;88768-67-6;(R)-Preclamol hydrochloride;89874-80-6 |
| PubChem CID | 202478 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 2.919 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 16 |
| Complexity | 207 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C(N1CCC[C@H](C2C=CC=C(O)C=2)C1)CC |
| InChi Key | HTSNFXAICLXZMA-ZDUSSCGKSA-N |
| InChi Code | InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1 |
| Chemical Name | 3-[(3R)-1-propylpiperidin-3-yl]phenol |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | dopamine[1] |
| References |
[1]. Hjorth S, et al. Central dopamine receptor agonist and antagonist actions of the enantiomers of 3-PPP. [2]. Arnt J, et al. Dopamine receptor agonistic and antagonistic effects of 3-PPP enantiomers. Psychopharmacology (Berl). 1983;81(3):199-207. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (455.95 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.40 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (11.40 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5595 mL | 22.7977 mL | 45.5955 mL | |
| 5 mM | 0.9119 mL | 4.5595 mL | 9.1191 mL | |
| 10 mM | 0.4560 mL | 2.2798 mL | 4.5595 mL |