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

C₈H₁₉Cl₃N₂CAS 2031-23-4249.60 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

Similar compounds

1-(3-Chloropropyl)-4-methylpiperazine104-16-587 % 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 hydrochloride7250-67-154 % similar 1-(2-Chloroethyl)piperidine hydrochloride2008-75-552 % similar β-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride26487-67-252 % similar

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

Elsewhere

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