4-Chloro-piperidine-1-carboxylic acid tert-butyl ester

C₁₀H₁₈ClNO₂CAS 154874-94-9219.71 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₁₀H₁₈ClNO₂
Molar mass: 219.71 g/mol
Exact mass: 219.1026 Da
logP: 2.62Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

154874-94-9

SMILES

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

InChIKey

NZZWXABIGMMKQL-UHFFFAOYSA-N

InChI

InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3

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Names and synonyms

1 names

N-Boc-4-chloro-piperidine

Work with 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester

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 4-aminopiperidine-1-carboxylate87120-72-766 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-963 % similar N-Boc-4-piperidinemethanol123855-51-662 % similar 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-962 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-162 % similar 1,1-Dimethylethyl 4-(chlorosulfonyl)-1-piperidinecarboxylate782501-25-162 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-861 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-361 % similar

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

Same formula

Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride1147103-42-1

Elsewhere

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