1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate

C₁₃H₂₆N₂O₂CAS 674792-06-4242.36 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₃H₂₆N₂O₂
Molar mass: 242.36 g/mol
Exact mass: 242.1994 Da
logP: 2.24Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

674792-06-4

SMILES

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

InChIKey

WXGGVOBNOVOVAM-NSHDSACASA-N

InChI

InChI=1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m0/s1

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

Names and synonyms

4 names

1-Piperazinecarboxylic acid, 2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2S)-
tert-Butyl (2S)-2-isobutylpiperazine-1-carboxylate
2-Isobutyl-piperazine-1-carboxylic acid tert-butyl ester
(S)-1-Boc-2-isobutylpiperazine

Work with 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-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 (2R)-2-ethyl-1-piperazinecarboxylate393781-70-971 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-267 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-567 % similar 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-361 % similar 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-561 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-657 % similar 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-156 % similar (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-552 % similar

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

Elsewhere

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