| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 14 | Yes |
Popular Name: 1-(2-Cyanophenyl)piperazine 1-(2-Cyanophenyl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Number: 111373-03-6
" 1-(2-Cyanophenyl)piperazine, 97%"
1-(2-Cyanophenyl)piperazine, 97%
2-(piperazin-1-yl)benzonitrile
| 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) | 1.04 | 3.71 | -44.35 | 2 | 3 | 1 | 44 | 188.254 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 113 - 115 | Enamine Building Blocks |
| MP | 113...115 | Enamine Building Blocks |
| MP | 114 - 115 | Enamine Building Blocks |
| MP | 115 - 115 | Enamine Building Blocks |
| MP | 115 - 117 | Enamine Building Blocks |
| BP | 134-136°/.5mm | Oakwood Chemical |
| Boiling_Point | 314-315? | Alfa-Aesar |
| Boiling_Point | 314-315° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 26 | 0.76 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.76 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.76 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 26 | 0.76 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 214 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 214 | 0.67 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 25.5 | 0.76 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 21.8 | 0.77 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 26.1 | 0.76 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 26.1 | 0.76 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 214 | 0.67 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 25.5 | 0.76 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 21.8 | 0.77 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 26.1 | 0.76 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 26.1 | 0.76 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Serotonin receptors |
