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CHEBI:61209 - N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid

ChEBI IDCHEBI:61209
ChEBI NameN-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid
Stars
ASCII NameN-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid
DefinitionA piperidinemonocarboxylic acid that is 4-phenylisonipecotic acid in which the hydrogen α- to the carboxyl group is substituted by a phenyl group, and the hydrogen attached to the nitrogen is substituted by a 2-(4-aminophenyl)ethyl group.
Last Modified4 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H24N2O2
Net Charge0
Average Mass324.424
Monoisotopic Mass324.18378
SMILESNc1ccc(CCN2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c21-18-8-6-16(7-9-18)10-13-22-14-11-20(12-15-22,19(23)24)17-4-2-1-3-5-17/h1-9H,10-15,21H2,(H,23,24)
InChIKeyMECKFKIUTIDCPC-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid (CHEBI:61209) is a amino acid (CHEBI:33709)
N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid (CHEBI:61209) is a piperidinemonocarboxylic acid (CHEBI:26148)
N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid (CHEBI:61209) is a substituted aniline (CHEBI:48975)
Incoming Relation(s)
anileridine (CHEBI:61203) has functional parent N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid (CHEBI:61209)
IUPAC Name 
1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylic acid
Synonym  Source
1-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acidChEBI