chempirical

4-Methyl-1-piperazinecarbonyl chloride hydrochloride

C6H12Cl2N2OCAS 55112-42-0199.07 g/mol

Open in Covalent MOL file
NNOClHCl
Acyl halideTertiary amine

Properties

Molecular formula
C6H12Cl2N2O
Molar mass
199.07 g/mol
Exact mass
198.0327 Da
Melting point
218–225 °C (decomposes)
Boiling point
94–96 °C (at 10 Torr)
logP
1.01Crippen estimate
Polar surface area
23.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
55112-42-0
SMILES
CN1CCN(C(=O)Cl)CC1.Cl
InChIKey
WICNYNXYKZNNSN-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H

Weigh it out

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

Names and synonyms

6 names
  • 1-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride (1:1)
  • 1-Piperazinecarbonyl chloride, 4-methyl-, monohydrochloride
  • 1-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride
  • 1-Chlorocarbonyl-4-methylpiperazine hydrochloride
  • 4-Methylpiperazinecarbonyl chloride hydrochloride
  • 1-Methylpiperazine-4-carbonyl chloride hydrochloride

Work with 4-Methyl-1-piperazinecarbonyl chloride 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

1-Pyrrolidinecarbonyl chloride1192-63-852 % similar N,N-Bis(2-chloroethyl)carbamic chloride2998-56-348 % similar 4-Morpholinecarbonyl chloride15159-40-747 % similar 1-Methylhexahydro-4-azepinone hydrochloride19869-42-245 % similar Diethylcarbamoyl chloride88-10-845 % similar 1-Methyl-4-piperidone1445-73-441 % similar Nitrogen mustard55-86-741 % similar 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride106261-64-740 % similar

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

Elsewhere

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