4-Bromo-1-methylpiperidine

C₆H₁₂BrNCAS 76444-51-4178.07 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₆H₁₂BrN
Molar mass: 178.07 g/mol
Exact mass: 177.0153 Da
logP: 1.48Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

76444-51-4

SMILES

CN1CCC(CC1)Br

InChIKey

RTEVQEDKZPFGNP-UHFFFAOYSA-N

InChI

InChI=1S/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Bromo-N-methyl piperidine

Work with 4-Bromo-1-methylpiperidine

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

4-Hydroxy-1-methylpiperidine106-52-548 % similar 4-Amino-1-methylpiperidine41838-46-448 % similar 4-Chloro-1-methylpiperidine5570-77-448 % similar 1,4-Dimethylpiperazine106-58-144 % similar Bromocyclopropane4333-56-644 % similar 1-Methyl-4-piperidinemethanol20691-89-844 % similar 1-Methylpiperidine-4-methylamine7149-42-044 % similar 1-Methyl-4-(methylamino)piperidine73579-08-544 % similar

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

Elsewhere

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