Ketcher 04072110062D 1   1.00000     0.00000     0

  6  6  0     0  0            999 V2000
    3.9020   -2.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7814   -1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7814   -0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9020   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425   -0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425   -1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  6  1  1  0     0  0
  3  2  1  0     0  0
  5  6  1  0     0  0
  4  3  1  0     0  0
  4  5  1  0     0  0
M  END
> <ID>
CHEBI:18049

> <NAME>
piperidine

> <DEFINITION>
An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45123; CHEBI:8238; CHEBI:14841; CHEBI:26146

> <SYNONYM>
Piperidine; Piperidin; pip; perhydropyridine; pentamethylenimine; pentamethyleneimine; pentamethyleneamine; hexazane; Hexahydropyridine; cypentil; cyclopentimine; azinane; Azacyclohexane

> <IUPAC_NAME>
piperidine

> <FORMULA>
C5H11N

> <MASS>
85.150

> <MONOISOTOPIC_MASS>
85.08915

> <CHARGE>
0

> <SMILES>
C1CCNCC1

> <INCHI>
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

> <INCHIKEY>
NQRYJNQNLNOLGT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
110-89-4

> <REAXYS_REGISTRY_NUMBER>
102438

> <CHEMIDPLUS>
110-89-4

> <KEGG_COMPOUND_ACCESSION>
C01746

> <KNAPSACK_ACCESSION>
C00051876

> <METACYC_ACCESSION>
PIPERIDINE

> <NIST_CHEMISTRY_WEBBOOK>
110-89-4

> <PDBECHEM_ACCESSION>
PIP

> <WIKIPEDIA_ACCESSION>
Piperidine

> <PUBMED_CITATION>
12355363; 15017096; 15412; 25897321; 32120931; 33021609; 5300194; 5308835; 799462

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