chempirical

1-(3,5-Dichloro-4-pyridinyl)piperazine

C9H11Cl2N3CAS 175277-80-2232.11 g/mol

Open in Covalent MOL file
ClNClNHN
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C9H11Cl2N3
Molar mass
232.11 g/mol
Exact mass
231.0330 Da
logP
1.80Crippen estimate
Polar surface area
28.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
175277-80-2
SMILES
Clc1cncc(Cl)c1N1CCNCC1
InChIKey
GPCFTLKHUONISF-UHFFFAOYSA-N
InChI
InChI=1S/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2

Weigh it out

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

Names and synonyms

4 names
  • Piperazine, 1-(3,5-dichloro-4-pyridinyl)-
  • 1-(3,5-Dichloropyridin-4-yl)piperazine
  • 4-(3,5-Dichloropyridin-4-yl)piperazine
  • 1-(3,5-Dichloro-4-pyridyl)piperazine

Work with 1-(3,5-Dichloro-4-pyridinyl)piperazine

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-(2-Chlorophenyl)piperazine39512-50-047 % similar 1-(3,4-Dichlorophenyl)piperazine57260-67-047 % similar 1-(4-Pyridyl)piperazine1008-91-947 % similar 2,3-Dichlorophenylpiperazine41202-77-144 % similar 1-(2,6-Dimethylphenyl)piperazine1012-91-544 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-843 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-143 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine132834-59-443 % similar

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

Elsewhere

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