tert-Butyl 4-benzylpiperazine-1-carboxylate

C₁₆H₂₄N₂O₂CAS 57260-70-5276.38 g/mol

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Carbamate Tertiary amine

Properties

Molecular formula: C₁₆H₂₄N₂O₂
Molar mass: 276.38 g/mol
Exact mass: 276.1838 Da
logP: 2.74Crippen estimate
Polar surface area: 32.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

57260-70-5

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChIKey

GVHSMUYEAWMYLM-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3

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Names and synonyms

1 names

1-Boc-(4-benzyl)piperazine

Work with tert-Butyl 4-benzylpiperazine-1-carboxylate

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

4-(2-Amino-ethyl)-piperazine-1-carboxylic acid tert-butyl ester192130-34-055 % similar tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-455 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-654 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-953 % similar 1-Boc-4-methylpiperazine53788-49-153 % similar N-Boc-piperazine57260-71-653 % similar 4-Boc-1-piperazineacetic acid156478-71-652 % similar 1-Boc-4-(2-carboxyphenyl)piperazine444582-90-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-8 1-N-Boc-4-(phenylamino)piperidine125541-22-2 (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-4 (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-4 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-3 4-P-Aminophenyl-1-boc-piperidine170011-57-1 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 tert-Butyl 3-Benzylpiperazine-1-carboxylate502649-29-8

Elsewhere

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