chempirical

N-Methyl-4-chloropiperidine hydrochloride

C6H13Cl2NCAS 5382-23-0170.08 g/mol

Open in Covalent MOL file
NClHCl
Alkyl halideTertiary amine

Properties

Molecular formula
C6H13Cl2N
Molar mass
170.08 g/mol
Exact mass
169.0425 Da
Melting point
163–165 °C
Boiling point
47–48 °C (at 10 Torr)
logP
1.74Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
5382-23-0
SMILES
CN1CCC(Cl)CC1.Cl
InChIKey
QDOJNWFOCOWAPO-UHFFFAOYSA-N
InChI
InChI=1S/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H

Weigh it out

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

Names and synonyms

5 names
  • Piperidine, 4-chloro-1-methyl-, hydrochloride (1:1)
  • Piperidine, 4-chloro-1-methyl-, hydrochloride
  • 4-Chloro-N-methylpiperidine hydrochloride
  • 4-Chloro-1-methylpiperidine hydrochloride
  • 1-Methyl-4-chloropiperidine hydrochloride

Work with N-Methyl-4-chloropiperidine hydrochloride

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-Chloro-1-methylpiperidine5570-77-485 % similar 4-Amino-1-methylpiperidine dihydrochloride1193-03-954 % similar 1-Methylisonipecotic acid hydrochloride71985-80-344 % similar 4-Hydroxy-1-methylpiperidine106-52-542 % similar 4-Amino-1-methylpiperidine41838-46-442 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-241 % similar 1-Methyl-4-(piperazin-1-yl)piperazine hydrochloride436099-90-041 % similar (1-Methylpiperidin-4-yl)methanamine7149-42-039 % similar

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

Same formula

1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-1

Elsewhere

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