chempirical

1-(3-Chloropropyl)-4-methylpiperazine

C8H17ClN2CAS 104-16-5176.69 g/mol

Open in Covalent MOL file
NNCl
Alkyl halideTertiary amine

Properties

Molecular formula
C8H17ClN2
Molar mass
176.69 g/mol
Exact mass
176.1080 Da
Melting point
128–130 °C
Boiling point
82–83 °C (at 3 Torr)
logP
0.86Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
104-16-5
SMILES
CN1CCN(CCCCl)CC1
InChIKey
AUERUDPETOKUPT-UHFFFAOYSA-N
InChI
InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3

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Names and synonyms

7 names
  • Piperazine, 1-(3-chloropropyl)-4-methyl-
  • 3-(4-Methylpiperazino)propyl chloride
  • 1-Methyl-4-(3-chloropropyl)piperazine
  • 1-Chloro-3-(4-methyl-1-piperazinyl)propane
  • N-(3-Chloropropyl)-N′-methylpiperazine
  • 3-(4-Methyl-1-piperazinyl)propyl chloride
  • N-Methylpiperazinopropyl chloride

Work with 1-(3-Chloropropyl)-4-methylpiperazine

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

3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-487 % similar Chlormethine51-75-255 % similar 1-(3-Aminopropyl)-4-methylpiperazine4572-03-654 % similar 1-(3-Hydroxypropyl)-4-methylpiperazine5317-33-954 % similar 3-Chloro-N,N-diethyl-1-propanamine104-77-852 % similar N,N,4-Trimethyl-1-piperazineethanamine104-19-850 % similar 3-Chloro-N,N-dimethyl-1-propanamine109-54-650 % similar 4-(3-Chloropropyl)morpholine7357-67-750 % similar

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

Elsewhere

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