Common name
1-(3-chlorophenyl)-4-propyl-piperazine
IUPAC name
1-(3-chlorophenyl)-4-propyl-piperazine
SMILES
CCCN1CCN(CC1)c2cc(ccc2)Cl
Common name
1-(3-chlorophenyl)-4-propyl-piperazine
IUPAC name
1-(3-chlorophenyl)-4-propyl-piperazine
SMILES
CCCN1CCN(CC1)c2cc(ccc2)Cl
INCHI
InChI=1S/C13H19ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
FORMULA
C13H19ClN2
Common name
1-(3-chlorophenyl)-4-propyl-piperazine
IUPAC name
1-(3-chlorophenyl)-4-propyl-piperazine
Molecular weight
238.756
clogP
2.834
clogS
-3.393
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
6.48
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00521 | Trazodone |
|
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression. |
| FDBD00997 | Nefazodone |
|
Antidepressive Agents, Second-Generation; Adrenergic alpha-1 Receptor Antagonists; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression. |
| FDBD01733 | Etoperidone |
|
Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fv8_ligand_2_3.mol2 | 3fv8 | 0.75 | -7.11 | Clc1ccccc1N1CC[NH+](C)CC1 | 14 |
| 3fv8_ligand_1_1.mol2 | 3fv8 | 0.75 | -6.98 | Clc1ccccc1N1CC[NH2+]CC1 | 13 |
| 3bea_ligand_1_0.mol2 | 3bea | 0.72549 | -6.64 | c1(ccccc1)N1C[C@@H]([NH2+][C@@H](C1)C)C | 14 |
| 4rwj_ligand_1_0.mol2 | 4rwj | 0.72549 | -6.59 | c1(ccccc1)N1C[C@H]([NH2+][C@H](C1)C)C | 14 |
| 4rwk_ligand_1_0.mol2 | 4rwk | 0.72549 | -6.53 | c1(ccccc1)N1C[C@H]([NH2+][C@H](C1)C)C | 14 |
| 4v05_ligand_1_0.mol2 | 4v05 | 0.72549 | -6.51 | N1(C[C@H]([NH2+][C@H](C1)C)C)c1ccccc1 | 14 |
| 1s64_ligand_2_1.mol2 | 1s64 | 0.716667 | -6.72 | c1(cc(ccc1)Cl)N1CC[N@@H+](CC1=O)C | 15 |
| 1s64_ligand_1_2.mol2 | 1s64 | 0.716667 | -6.68 | c1(cc(ccc1)Cl)N1CC[NH2+]CC1=O | 14 |
103 ,
11
