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

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H410 Very toxic to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

Weigh it out

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

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

tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-183 % similar (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-683 % similar (+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde59379-02-183 % similar tert-Butyl 3-formylazetidine-1-carboxylate177947-96-572 % similar (R)-1-Boc-3-hydroxypiperidine143900-43-063 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-163 % similar 1-Boc-3-aminopiperidine144243-24-363 % similar N-Boc-3-aminopiperidine184637-48-763 % 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 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-6 tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-4 tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-2 N-Boc-hexahydro-1H-azepin-4-one188975-88-4 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1-Piperidinecarboxylicacid,2-methyl-4-oxo-,1,1-dimethylethylester,(2R)-(9ci)790667-43-5

Elsewhere

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