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

C₉H₁₁Cl₂N₃CAS 175277-80-2232.11 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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)pyridin-2-yl)piperazine132834-59-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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