1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde

C₁₁H₁₉NO₃CAS 137076-22-3213.28 g/mol

Open in Covalent MOL file

Aldehyde Carbamate

Properties

Molecular formula: C₁₁H₁₉NO₃
Molar mass: 213.28 g/mol
Exact mass: 213.1365 Da
logP: 1.83Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

137076-22-3

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C=O

InChIKey

JYUQEWCJWDGCRX-UHFFFAOYSA-N

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h8-9H,4-7H2,1-3H3

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Names and synonyms

1 names

tert-Butyl 4-formylpiperidine-1-carboxylate

Work with 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde

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

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-264 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-764 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-961 % similar N-Boc-4-piperidinemethanol123855-51-661 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-961 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-859 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-157 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-556 % similar

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

Same formula

tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-8 1-Boc-piperidine-3-carboxaldehyde118156-93-7 tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-6 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-6

Elsewhere

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