1-Boc-piperidine-3-carboxaldehyde

C₁₁H₁₉NO₃CAS 118156-93-7213.28 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

118156-93-7

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C=O

InChIKey

CTVHINDANRPFIL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Boc-3-piperidinecarboxaldehyde

Work with 1-Boc-piperidine-3-carboxaldehyde

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

(S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-363 % similar N-Boc-piperidine-3-methanol116574-71-160 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-560 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-360 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-958 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-957 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-857 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-357 % 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-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-3 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-6

Elsewhere

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