| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 13 | Yes |
Popular Name: 1-(2-Fluorophenyl)piperazine 1-(2-Fluorophenyl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1011-15-0 , 1011-16-1 , 76835-09-1 , [1011-16-1]
"1-(2-Fluorophenyl)piperazine, 98%"
1-(2-Fluoro-phenyl)-piperazine
1-(2-Fluorophenyl)piperazine HCl
1-(2-Fluorophenyl)Piperazine Hydrochloride
1-(2-Fluorophenyl)piperazine, 97%
1-(2-Fluorophenyl)piperazine, 99%
2-(1-Piperazinyl)fluorobenzene
| 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) | 1.45 | 3.34 | -39.29 | 2 | 2 | 1 | 20 | 181.234 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 150?/3mm | Alfa-Aesar |
| Boiling_Point | 150°/3mm | Alfa-Aesar |
| MP | 185-186° | Matrix Scientific |
| MP | 187 - 189 | Enamine Building Blocks |
| MP | 187-189° | Oakwood Chemical |
| MP | 187...189 | Enamine Building Blocks |
| MP | 190 | TCI |
| Melting_Point | 44-48? | Alfa-Aesar |
| Melting_Point | 44-48° | Alfa-Aesar |
| MP | 49 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP | 93 / 0.5 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and e | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| 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 | 58 | 0.78 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 58 | 0.78 | Binding ≤ 10μM |
| 5HT1D-2-E | Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 58 | 0.78 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 58 | 0.78 | Binding ≤ 10μM |
| Z104304-2-O | Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other | Other | 373 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 373 | 0.69 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 43 | 0.79 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 28.9 | 0.81 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 57.9 | 0.78 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 57.9 | 0.78 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 373 | 0.69 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 43 | 0.79 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 28.9 | 0.81 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 57.9 | 0.78 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 57.9 | 0.78 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Serotonin receptors |
