4-(2-pyridin-4-ylethyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylic acid Openeye Name: 4-[2-(4-pyridyl)ethyl]piperazine-1-carboxylic acid CAS Name: 4-(2-pyridin-4-ylethyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylic acid Traditional Name: 4-[2-(4-pyridyl)ethyl]piperazine-1-carboxylic acid Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C12H17N3O2/c16-12(17)15-9-7-14(8-10-15)6-3-11-1-4-13-5-2-11/h1-2,4-5H,3,6-10H2,(H,16,17)