4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester

C15H23N3O2CAS 170911-92-9277.37 g/mol

Open in Covalent MOL file
OONNNH2
CarbamatePrimary amineTertiary amine

Properties

Molecular formula
C15H23N3O2
Molar mass
277.37 g/mol
Exact mass
277.1790 Da
logP
2.33Crippen estimate
Polar surface area
58.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
170911-92-9
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
InChIKey
RXFHRKPNLPBDGE-UHFFFAOYSA-N
InChI
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

Work with 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-371 % similar 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-467 % similar 4-P-Aminophenyl-1-boc-piperidine170011-57-164 % similar 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester470478-90-164 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-560 % similar 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one92394-00-857 % similar (S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-856 % similar 3-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl ester875798-79-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-3

Elsewhere

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