[5-(hydroxymethyl)-2-methyl-piperidin-3-yl] pyridine-4-carboxylate

Systemtic Name: [5-(hydroxymethyl)-2-methyl-piperidin-3-yl] pyridine-4-carboxylate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-piperidyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [5-(hydroxymethyl)-2-methyl-3-piperidinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpiperidin-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid (2-methyl-5-methylol-3-piperidyl) ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CN1)CO)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1C(CC(CN1)CO)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H18N2O3/c1-9-12(6-10(8-16)7-15-9)18-13(17)11-2-4-14-5-3-11/h2-5,9-10,12,15-16H,6-8H2,1H3