CHEBI:76324 - N-nitrosopiperidine

ChEBI IDCHEBI:76324
ChEBI NameN-nitrosopiperidine
Stars
ASCII NameN-nitrosopiperidine
DefinitionA nitrosamine that is piperidine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. One of the many carcinogens detected in cigarette smoke, it is found in meat, cheese and spices that have been treated with the preservative sodium nitrite.
Last Modified28 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC5H10N2O
Net Charge0
Average Mass114.148
Monoisotopic Mass114.07931
SMILESO=NN1CCCCC1
InChIInChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2
InChIKeyUWSDONTXWQOZFN-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
base  A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Brønsted base) or with the vacant orbital of some other molecular entity (Lewis base).
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
catalyst  A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
reagent  A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
ChEBI Ontology
Outgoing Relation(s)
N-nitrosopiperidine (CHEBI:76324) has role apoptosis inducer (CHEBI:68495)
N-nitrosopiperidine (CHEBI:76324) has role carcinogenic agent (CHEBI:50903)
N-nitrosopiperidine (CHEBI:76324) has role environmental contaminant (CHEBI:78298)
N-nitrosopiperidine (CHEBI:76324) has role mutagen (CHEBI:25435)
N-nitrosopiperidine (CHEBI:76324) is a nitrosamine (CHEBI:35803)
N-nitrosopiperidine (CHEBI:76324) is a piperidine (CHEBI:18049)
IUPAC Name 
1-nitrosopiperidine
Synonyms  Source
N-nitrosohexahydropyridineNIST Chemistry WebBook
NO-PipChemIDplus
Manual XrefsDatabases
C19284KEGG COMPOUND
Registry NumbersSources
Reaxys:110253Reaxys
CAS:100-75-4ChemIDplus
CAS:100-75-4NIST Chemistry WebBook
CAS:100-75-4KEGG COMPOUND
Citations