tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate

C₁₁H₂₂N₂O₂CAS 180975-66-0214.31 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.60Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

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

180975-66-0

SMILES

C[C@@H]1CNC[C@@H](N1C(=O)OC(C)(C)C)C

InChIKey

RBOGBIZGALIITO-DTORHVGOSA-N

InChI

InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+

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Work with tert-Butyl (2R,6S)-2,6-dimethylpiperazine-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 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-868 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-668 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-263 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-563 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-363 % similar tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-657 % similar cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-157 % similar 3-Boc-3-methylaminoazatidine577777-20-957 % similar

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

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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