Ethyl N-boc-4-methylpiperidine-4-carboxylate

C₁₄H₂₅NO₄CAS 189442-87-3271.36 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₄H₂₅NO₄
Molar mass: 271.36 g/mol
Exact mass: 271.1784 Da
logP: 2.59Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

189442-87-3

SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C

InChIKey

ZQZVWDXMUCTNRI-UHFFFAOYSA-N

InChI

InChI=1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3

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Names and synonyms

1 names

1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate

Work with Ethyl N-boc-4-methylpiperidine-4-carboxylate

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-Boc-4-methylpiperidine-4-carboxylic acid189321-63-960 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-458 % similar 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-456 % similar tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate135716-08-453 % similar 1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate362703-35-353 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-852 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-851 % similar 1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-151 % similar

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

Same formula

Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-5 Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-5 1,1-Dimethylethyl N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]carbamate247068-82-2

Elsewhere

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