| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: 1-(3-fluorophenyl)piperazine 1-(3-fluorophenyl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3801-89-6 , [3801-89-6]
1-(3-Fluoro-phenyl)-piperazine
4-(3-fluorophenyl)piperazin-1-ium 2,2,2-trifluoroacetate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.48 | 3.43 | -43.28 | 2 | 2 | 1 | 20 | 181.234 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 88-89°/0.3mm | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-4-E | Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 87 | 0.76 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 87 | 0.76 | Binding ≤ 10μM |
| 5HT1D-2-E | Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 87 | 0.76 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 87 | 0.76 | Binding ≤ 10μM |
| Z104304-2-O | Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other | Other | 670 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 670 | 0.66 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 114 | 0.75 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 30.8 | 0.81 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 86.5 | 0.76 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 86.5 | 0.76 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 670 | 0.66 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 114 | 0.75 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 30.8 | 0.81 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 86.5 | 0.76 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 86.5 | 0.76 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Serotonin receptors |
