chempirical

Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate

C14H25NO4CAS 135716-09-5271.36 g/mol

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CarbamateEster

Properties

Molecular formula
C14H25NO4
Molar mass
271.36 g/mol
Exact mass
271.1784 Da
logP
2.59Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
135716-09-5
SMILES
CCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
PQEXLIRUMIRSAL-UHFFFAOYSA-N
InChI
InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3

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Names and synonyms

6 names
  • 4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
  • 1-tert-Butoxycarbonyl-4-piperidineacetic acid ethyl ester
  • 2-(1-tert-Butoxycarbonyl-4-piperidyl)acetic acid ethyl ester
  • 4-((Ethoxycarbonyl)methyl)piperidine-1-carboxylic acid tert-butyl ester
  • (1-(tert-Butoxycarbonyl)piperidin-4-yl)acetic acid ethyl ester
  • tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

Work with Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate

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

N-Boc-4-piperidinemethanol123855-51-658 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-257 % similar 1-(1,1-Dimethylethyl) 4-ethyl 3-oxo-1,4-piperidinedicarboxylate71233-25-554 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-253 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-753 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-353 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-652 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-952 % similar

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

Same formula

Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-5 1,1-Dimethylethyl N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]carbamate247068-82-2

Elsewhere

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