| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 13 | Yes |
Popular Name: 1-(2-Hydroxyphenyl)piperazine 1-(2-Hydroxyphenyl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1011-17-2 , 211304-63-1 , 58260-69-8 , [1011-17-2] , [58260-69-8]
"1-(2-Hydroxyphenyl)piperazine, 98%"
1-(2-Hydroxyphenyl)-piperazine
1-(2-Hydroxyphenyl)piperazine dihydrobromide
1-(2-Hydroxyphenyl)piperazine, 98%
2-(piperazin-1-yl)phenol hydrochloride
| 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) | 1.07 | 0.86 | -42.83 | 3 | 3 | 1 | 40 | 179.243 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 121 - 123 | Enamine Building Blocks |
| Mp [°C] | 121 - 125 | Acros Organics |
| MP | 121-125° | Oakwood Chemical |
| MP | 121...123 | Enamine Building Blocks |
| Melting_Point | 122-127? | Alfa-Aesar |
| Melting_Point | 122-127° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 35 | 0.80 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 74 | 0.77 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 150 | 0.73 | Binding ≤ 10μM |
| 5HT1E-2-E | Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 150 | 0.73 | Binding ≤ 10μM |
| 5HT1F-2-E | Serotonin 1f (5-HT1f) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 150 | 0.73 | Binding ≤ 10μM |
| 5HT5A-1-E | Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 215 | 0.72 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 516 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 516 | 0.68 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 117 | 0.75 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 117 | 0.75 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 117 | 0.75 | Binding ≤ 1μM |
| 5HT1E_HUMAN | P28566 | Serotonin 1e (5-HT1e) Receptor, Human | 150 | 0.73 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 117 | 0.75 | Binding ≤ 1μM |
| 5HT5A_MOUSE | P30966 | Serotonin 5a (5-HT5a) Receptor, Mouse | 215 | 0.72 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 516 | 0.68 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 117 | 0.75 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 117 | 0.75 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 117 | 0.75 | Binding ≤ 10μM |
| 5HT1E_HUMAN | P28566 | Serotonin 1e (5-HT1e) Receptor, Human | 150 | 0.73 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 117 | 0.75 | Binding ≤ 10μM |
| 5HT5A_MOUSE | P30966 | Serotonin 5a (5-HT5a) Receptor, Mouse | 215 | 0.72 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Serotonin receptors |
