1-(4-Bromophenyl)piperazine

C10H13BrN2CAS 66698-28-0241.13 g/mol

Open in Covalent MOL file
NHNBr
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C10H13BrN2
Molar mass
241.13 g/mol
Exact mass
240.0262 Da
logP
1.86Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
66698-28-0
SMILES
C1CN(CCN1)C2=CC=C(C=C2)Br
InChIKey
PJHPFAFEJNBIDC-UHFFFAOYSA-N
InChI
InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Weigh it out

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

Work with 1-(4-Bromophenyl)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

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-(4-Bromophenyl)piperazine monohydrochloride68104-62-1Salt

Similar compounds

p-(1-Piperazinyl)phenol56621-48-864 % similar 1-(4-Chlorophenyl)piperazine38212-33-861 % similar Phenylpiperazine92-54-659 % similar 1-(4-Fluorophenyl)piperazine2252-63-359 % similar 4-(4-Bromophenyl)morpholine30483-75-159 % similar 1-(p-Tolyl)piperazine39593-08-359 % similar 1-Biphenyl-4-yl-piperazine180698-19-557 % similar 1-(4-Pyridyl)piperazine1008-91-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Bromophenyl)piperazine1011-13-8 1-(3-Bromophenyl)piperazine31197-30-5

Elsewhere

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