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

C13H26N2O2CAS 674792-06-4242.36 g/mol

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NHNOO
CarbamateSecondary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

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

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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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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-(hydroxymethyl)piperazine-1-carboxylate205434-75-970 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-267 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-567 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-367 % similar (S)-1-Boc-2-isopropylpiperazine674792-05-365 % similar 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate169447-86-361 % similar 1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-4-(Boc-aminomethyl)-cyclohexanemethanamine166168-16-7

Elsewhere

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