tert-butyl 4-[(2-methylpyrimidin-4-yl)-piperidin-4-yl-methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-methylpyrimidin-4-yl)-piperidin-4-yl-methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-methylpyrimidin-4-yl)-(4-piperidyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-methyl-4-pyrimidinyl)-(4-piperidinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methylpyrimidin-4-yl)-piperidin-4-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(2-methylpyrimidin-4-yl)-(4-piperidyl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H33N5O2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C(C2CCNCC2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC=CC(=N1)C(C2CCNCC2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H33N5O2/c1-15-22-10-7-17(23-15)18(16-5-8-21-9-6-16)24-11-13-25(14-12-24)19(26)27-20(2,3)4/h7,10,16,18,21H,5-6,8-9,11-14H2,1-4H3