chempirical

tert-Butyl 3-Benzylpiperazine-1-carboxylate

C16H24N2O2CAS 502649-29-8276.38 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C16H24N2O2
Molar mass
276.38 g/mol
Exact mass
276.1838 Da
logP
2.44Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 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
502649-29-8
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)CC2=CC=CC=C2
InChIKey
YFIAVMMGSRDLLG-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-14(12-18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3

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Names and synonyms

1 names
  • 1-Boc-3-benzylpiperazine

Work with tert-Butyl 3-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

tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-469 % similar tert-Butyl 3-ethylpiperazine-1-carboxylate438049-35-565 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-264 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-564 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-764 % similar Methyl 4-[(1,1-dimethylethoxy)carbonyl]-2-piperazineacetate183742-33-859 % similar tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-957 % similar (S)-4-N-Boc-2-methylpiperazine147081-29-657 % 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 4-benzylpiperazine-1-carboxylate57260-70-5

Elsewhere

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