tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate

C₁₁H₂₀ClNO₂CAS 479057-79-9233.74 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₁₁H₂₀ClNO₂
Molar mass: 233.74 g/mol
Exact mass: 233.1183 Da
logP: 2.87Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

479057-79-9

SMILES

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

InChIKey

CTSABEXZMPJSGO-UHFFFAOYSA-N

InChI

InChI=1S/C11H20ClNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3

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Work with tert-Butyl 4-(chloromethyl)piperidine-1-carboxylate

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-4-piperidinemethanol123855-51-668 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-068 % similar 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-068 % similar 4-Chloro-piperidine-1-carboxylic acid tert-butyl ester154874-94-967 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-166 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-163 % similar tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate156185-63-663 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-563 % similar

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

Same formula

trans-4-Cyclohexyl-L-proline hydrochloride90657-55-9

Elsewhere

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