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

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory 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, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-655 % similar tert-Butyl 4,4-difluoropiperidine-1-carboxylate281652-10-654 % 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 1-pyrrolidinecarboxylate86953-79-953 % 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 (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