1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate

C₁₁H₂₂N₂O₂CAS 393781-70-9214.31 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: 1.61Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

393781-70-9

SMILES

CC[C@@H]1CNCCN1C(=O)OC(C)(C)C

InChIKey

CTCGRXDGXGUOTE-SECBINFHSA-N

InChI

InChI=1S/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

(R)-1-Boc-2-ethylPiperazine
(R)-2-Ethylpiperazine-1-carboxylic acid tert-butyl ester
1-Piperazinecarboxylic acid, 2-ethyl-, 1,1-dimethylethyl ester, (2R)-
tert-Butyl (R)-2-ethylpiperazine-1-carboxylate

Work with 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate

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

1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-471 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-266 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-566 % similar 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-364 % similar 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-564 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-660 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-159 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-854 % 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 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-7 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-1 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-6

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