| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: 1-Phenylpiperazine 1-Phenylpiperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2210-93-7 , 4004-95-9 , 92-54-6 , [2210-93-7] , [92-54-6]
1-PHENYLPIPERAZINE DIHYDROCHLORIDE
1-phenylpiperazine ethyl-4,4,4-trifluoro-3-oxobutanoate salt
1-Phenylpiperazine hydrochloride
1-Phenylpiperazine hydrochloride, 97%
1-Phenylpiperazine hydrochloride, 99%
1-Phenylpiperazine maleate; LS-113100; Piperazine, 1-phenyl-, maleate
| 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) | 1.34 | 3.36 | -41.04 | 2 | 2 | 1 | 20 | 163.244 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 104-106°/0.5mm | Fluorochem |
| melting_point | 114 - 117 | KeyOrganics |
| Melting_Point | 17-19? | Alfa-Aesar |
| Melting_Point | 17-19° | Alfa-Aesar |
| Mp [°C] | 18.8 | Acros Organics |
| Mp [°C] | 240 - 247 | Acros Organics |
| Melting_Point | 247-250? | Alfa-Aesar |
| Melting_Point | 247-250° | Alfa-Aesar |
| BP | 272 | TCI |
| Boiling_Point | 285-286? | Alfa-Aesar |
| Boiling_Point | 285-286° | Alfa-Aesar |
| BP [°C] | 286 | Acros Organics |
| BP | 286° | Matrix Scientific |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0790239A1 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| H phrase | H310: Fatal in contact with skin | Acros Organics |
| H phrase | H310: Fatal in contact with skin; H301: Toxic if swallowed; H314: Causes severe skin burns and eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/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 rinsing; P270: Do not eat, drink o | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R24: Toxic in contact with skin.; 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. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Warnings | Toxic/Corrosive | Matrix Scientific |
| Hazard | XN: Harmful | 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 | 500 | 0.74 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 63 | 0.84 | Binding ≤ 10μM |
| 5HT1D-2-E | Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 149 | 0.80 | Binding ≤ 10μM |
| 5HT1E-2-E | Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 135 | 0.80 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 149 | 0.80 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 668 | 0.72 | Binding ≤ 10μM |
| 5HT2B-2-E | Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 668 | 0.72 | Binding ≤ 10μM |
| 5HT2C-2-E | Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 668 | 0.72 | Binding ≤ 10μM |
| 5HT3A-2-E | Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic | Eukaryotes | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3B-2-E | Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3C-2-E | Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3D-2-E | Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3E-2-E | Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.64 | Binding ≤ 10μM |
| DRD2-11-E | Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic | Eukaryotes | 6800 | 0.60 | Binding ≤ 10μM |
| Z104304-2-O | Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other | Other | 794 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 794 | 0.71 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 135 | 0.80 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 135 | 0.80 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 135 | 0.80 | Binding ≤ 1μM |
| 5HT1E_HUMAN | P28566 | Serotonin 1e (5-HT1e) Receptor, Human | 135 | 0.80 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 135 | 0.80 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 668 | 0.72 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 668 | 0.72 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 668 | 0.72 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 794 | 0.71 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 6800 | 0.60 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 135 | 0.80 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 135 | 0.80 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 135 | 0.80 | Binding ≤ 10μM |
| 5HT1E_HUMAN | P28566 | Serotonin 1e (5-HT1e) Receptor, Human | 135 | 0.80 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 135 | 0.80 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 2100 | 0.66 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 2100 | 0.66 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 2100 | 0.66 | Binding ≤ 10μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 3000 | 0.64 | Binding ≤ 10μM |
| 5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 3000 | 0.64 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Ligand-gated ion channel transport | |
| Serotonin receptors |
