3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride

C8H19Cl3N2CAS 2031-23-4249.60 g/mol

Open in Covalent MOL file
NNClHClHCl
Alkyl halideTertiary amine

Properties

Molecular formula
C8H19Cl3N2
Molar mass
249.60 g/mol
Exact mass
248.0614 Da
Melting point
255–257 °C (decomposes)
logP
1.71Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
2031-23-4
SMILES
CN1CCN(CCCCl)CC1.Cl.Cl
InChIKey
RRZYWKLLIIIINP-UHFFFAOYSA-N
InChI
InChI=1S/C8H17ClN2.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H

Weigh it out

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

Names and synonyms

4 names
  • Piperazine, 1-(3-chloropropyl)-4-methyl-, hydrochloride (1:2)
  • Piperazine, 1-(3-chloropropyl)-4-methyl-, dihydrochloride
  • 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
  • 4-(3-Chloropropyl)-1-methylpiperazine dihydrochloride

Work with 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(3-Chloropropyl)-4-methylpiperazine104-16-5Free base

Similar compounds

1-(3-Chloropropyl)-pyrrolidine hydrochloride57616-69-067 % similar Nitrogen mustard55-86-760 % similar 3-Dimethylaminopropyl chloride hydrochloride1281-00-156 % similar 3-(Dimethylamino)propyl chloride hydrochloride5407-04-556 % similar 4-(3-Chloropropyl)morpholine hydrochloride57616-74-755 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7050-67-154 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-154 % similar 1-(2-Chloroethyl)piperidine hydrochloride2008-75-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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