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CHEBI:123404 - 1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid

ChEBI IDCHEBI:123404
ChEBI Name1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid
Stars
DownloadsMolfile
FormulaC12H17N3O2
Net Charge0
Average Mass235.287
Monoisotopic Mass235.13208
SMILESCc1cc(C)nc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C12H17N3O2/c1-8-7-9(2)14-12(13-8)15-5-3-10(4-6-15)11(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyHKGJIAQYOSHPHU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid (CHEBI:123404) is a carboxylic acid (CHEBI:33575)
1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid (CHEBI:123404) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-34846LINCS