1-Boc-3-bromomethylpiperidine

C₁₁H₂₀BrNO₂CAS 193629-39-9278.19 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₁₁H₂₀BrNO₂
Molar mass: 278.19 g/mol
Exact mass: 277.0677 Da
logP: 3.03Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

193629-39-9

SMILES

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

InChIKey

MGGZYACWICDRRD-UHFFFAOYSA-N

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3

Weigh it out

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

Work with 1-Boc-3-bromomethylpiperidine

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

N-Boc-piperidine-3-methanol116574-71-171 % similar tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-471 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-571 % similar tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-771 % similar tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-871 % similar tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-771 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-771 % similar N-Boc-3-piperidineacetic acid183483-09-266 % similar

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

Elsewhere

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