1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate

C11H20N2O4CAS 129799-15-1244.29 g/mol

Open in Covalent MOL file
OONHNOO
CarbamateEsterSecondary amine

Properties

Molecular formula
C11H20N2O4
Molar mass
244.29 g/mol
Exact mass
244.1423 Da
logP
0.37Crippen estimate
Polar surface area
67.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
129799-15-1
SMILES
COC(=O)C1CNCCN1C(=O)OC(C)(C)C
InChIKey
BRXKHIPPSTYCKO-UHFFFAOYSA-N
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
  • 1-tert-Butoxycarbonyl-2-carbomethoxypiperazine
  • Methyl 1-Boc-2-piperazinecarboxylate
  • 1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate
  • 1-O-tert-Butyl 2-O-methyl piperazine-1,2-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester796096-64-5Defined stereoisomer

Similar compounds

Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-569 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-667 % similar (R)-4-Boc-piperazine-3-carboxylic acid278788-60-667 % similar Boc-L-pro-ome59936-29-766 % similar Boc-D-pro-ome73323-65-666 % similar 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-064 % similar 1-tert-Butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate81357-18-862 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-3 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-2 4-Boc-1-piperazineacetic acid156478-71-6 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-4 1-tert-Butyl 2-methyl (2R,4S)-4-aminopyrrolidine-1,2-dicarboxylate254881-77-1 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-4 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-7

Elsewhere

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