chempirical

4-Chloro-1-methylpiperidine

C6H12ClNCAS 5570-77-4133.62 g/mol

Open in Covalent MOL file
NCl
Alkyl halideTertiary amine

Properties

Molecular formula
C6H12ClN
Molar mass
133.62 g/mol
Exact mass
133.0658 Da
Boiling point
160–162 °C (at 733 Torr)
logP
1.32Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
5570-77-4
SMILES
CN1CCC(Cl)CC1
InChIKey
MYGXGCCFTPKWIH-UHFFFAOYSA-N
InChI
InChI=1S/C6H12ClN/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

6 names
  • Piperidine, 4-chloro-1-methyl-
  • 4-Chloro-N-methylpiperidine
  • N-Methyl-4-chloropiperidine
  • 1-Methyl-4-piperidyl chloride
  • 1-Methyl-4-chloropiperidine
  • 1-Methyl-4-piperidinyl chloride

Work with 4-Chloro-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

N-Methyl-4-chloropiperidine hydrochloride5382-23-085 % similar 4-Hydroxy-1-methylpiperidine106-52-548 % similar 4-Amino-1-methylpiperidine41838-46-448 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-246 % similar (1-Methylpiperidin-4-yl)methanamine7149-42-044 % similar 1-Methyl-4-(methylamino)piperidine73579-08-544 % similar 4-Amino-1-methylpiperidine dihydrochloride1193-03-942 % similar 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-942 % similar

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

Same formula

4-Methylenepiperidine hydrochloride144230-50-2 1-Chloro-N,N-2-trimethylpropenylamine26189-59-3 Diallylammonium chloride6147-66-6

Elsewhere

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