1,1-Dimethylethyl 4-[(5-amino-2-chlorophenyl)methyl]-1-piperazinecarboxylate

CAS Registry Number®

769961-14-0

CAS Name

1,1-Dimethylethyl 4-[(5-amino-2-chlorophenyl)methyl]-1-piperazinecarboxylate

Molecular Formula

C16H24ClN3O2

Molecular Mass

325.83

Cite this Page

1,1-Dimethylethyl 4-[(5-amino-2-chlorophenyl)methyl]-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=769961-14-0 (retrieved 2024-10-07) (CAS RN: 769961-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H24ClN3O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-12-10-13(18)4-5-14(12)17/h4-5,10H,6-9,11,18H2,1-3H3

InChIKey

InChIKey=CQWOFJHYELPDPL-UHFFFAOYSA-N

SMILES

C(C1=C(Cl)C=CC(N)=C1)N2CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCN(CC2=CC(N)=CC=C2Cl)CC1

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-[(5-amino-2-chlorophenyl)methyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-[(5-amino-2-chlorophenyl)methyl]-1-piperazinecarboxylate
  • 4-(5-Amino-2-chlorobenzyl)piperazine-1-carboxylic acid tert-butyl ester
  • tert-Butyl 4-(5-amino-2-chlorobenzyl)piperazine-1-carboxylate

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox