1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol

C₁₉H₂₁Br₂N₃OCAS 335165-68-9467.21 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₉H₂₁Br₂N₃O
Molar mass: 467.21 g/mol
Exact mass: 465.0051 Da
logP: 3.59Crippen estimate
Polar surface area: 40.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

335165-68-9

SMILES

C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O

InChIKey

KUUJEXLRLIPQQJ-UHFFFAOYSA-N

InChI

InChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2

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Names and synonyms

1 names

3,6-Dibromo-alpha-(1-piperazinylmethyl)-9H-carbazole-9-ethanol dihydrochloride

Work with 1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol

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

P7C3-A201235481-90-936 % similar 1-(4-Bromophenyl)piperazine66698-28-034 % similar 1-(3-Bromophenyl)piperazine31197-30-534 % similar 3,6-Dibromo-9-phenylcarbazole57103-20-533 % similar 1-(4-Bromophenyl)piperazine monohydrochloride68104-62-132 % similar N-Isobutyl piperazine5308-28-131 % similar 3-Bromo-9-phenylcarbazole1153-85-131 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-630 % similar

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

Elsewhere

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