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

C14H25NO4CAS 135716-09-5271.36 g/mol

Open in Covalent MOL file
OONOO
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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

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

Weigh it out

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

Names and synonyms

7 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
  • Ethyl 1-((1,1-dimethylethoxy)carbonyl)-4-piperidineacetate

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

tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-876 % similar tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate175213-46-471 % similar tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate479630-08-567 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-464 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-561 % similar N-Boc-4-piperidinemethanol123855-51-658 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-058 % similar tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate479057-79-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-5 Ethyl N-boc-4-methylpiperidine-4-carboxylate189442-87-3 1,1-Dimethylethyl N-((1S)-3-methyl-1-(((2R)-2-methyl-2-oxiranyl)carbonyl)butyl)carbamate247068-82-2 (2S)-N-Boc-amino-non-8-enoic acid300831-21-4 (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid37736-82-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook