Marvin  10290717382D          

 13 14  0  0  0  0            999 V2000
   -1.1875    1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730    0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9559    2.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9559    0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6704    1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2414    1.2938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6704    2.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -1.1813    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3 12  1  0  0  0  0
 12  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  1  0  0  0  0
 10  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:10588

> <NAME>
1-(3-chlorophenyl)piperazine

> <DEFINITION>
A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone.

> <STAR>
3

> <SYNONYM>
m-Chlorophenylpiperazine; 1-(3-Chlorophenyl)piperazine; (m-CPP)

> <IUPAC_NAME>
1-(3-chlorophenyl)piperazine

> <FORMULA>
C10H13ClN2

> <MASS>
196.67640

> <MONOISOTOPIC_MASS>
196.07673

> <CHARGE>
0

> <SMILES>
Clc1cccc(c1)N1CCNCC1

> <INCHI>
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2

> <INCHIKEY>
VHFVKMTVMIZMIK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8409

> <CAS_REGISTRY_NUMBER>
6640-24-0

> <REAXYS_REGISTRY_NUMBER>
8409

> <CHEMIDPLUS>
6640-24-0

> <KEGG_COMPOUND_ACCESSION>
C11738

> <LINCS_ACCESSION>
LSM-25627

> <WIKIPEDIA_ACCESSION>
Meta-Chlorophenylpiperazine

> <PUBMED_CITATION>
11311791; 18621591; 23768699; 24062697; 6827905

$$$$