Ethyl 1-boc-3-piperidinecarboxylate

C₁₃H₂₃NO₄CAS 130250-54-3257.33 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₃H₂₃NO₄
Molar mass: 257.33 g/mol
Exact mass: 257.1627 Da
logP: 2.20Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

130250-54-3

SMILES

CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C

InChIKey

YCXCRFGBFZTUSU-UHFFFAOYSA-N

InChI

InChI=1S/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

1-tert-Butyl 3-ethyl piperidine-1,3-dicarboxylate

Work with Ethyl 1-boc-3-piperidinecarboxylate

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-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-288 % similar Methyl N-boc-piperidine-3-carboxylate148763-41-172 % similar 3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester858643-92-264 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-563 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-762 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-362 % similar (S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester313706-15-962 % similar 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate441717-40-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-4 Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-9 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-6 (1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid162046-58-4 tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate175213-46-4 Boc-1,4-trans-acha-oh189153-10-4 Boc-tranexamic acid27687-14-5

Elsewhere

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