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

C₁₅H₂₃N₃O₂CAS 170911-92-9277.37 g/mol

Open in Covalent MOL file

Carbamate Primary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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 tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-560 % similar (S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-856 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-955 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-555 % similar 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-755 % 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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