1-(2-bromophenyl)piperazine

C10H13BrN2 — CID 2757153

IUPAC1-(2-bromophenyl)piperazine
SMILESBrc1ccccc1N1CCNCC1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyJVTRURBMYILQDA-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.86
Rot. Bonds1

About 1-(2-bromophenyl)piperazine

1-(2-bromophenyl)piperazine (PubChem CID 2757153) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)piperazine.

Molecular Properties

Compound Name1-(2-bromophenyl)piperazine
PubChem CID2757153
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name1-(2-bromophenyl)piperazine
SMILESBrc1ccccc1N1CCNCC1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKeyJVTRURBMYILQDA-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)piperazine?
The IUPAC name of 1-(2-bromophenyl)piperazine (CID 2757153) is 1-(2-bromophenyl)piperazine.
What is the SMILES notation for 1-(2-bromophenyl)piperazine?
The canonical SMILES for 1-(2-bromophenyl)piperazine is Brc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-bromophenyl)piperazine?
The InChIKey is JVTRURBMYILQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2.
What are the key properties of 1-(2-bromophenyl)piperazine?
1-(2-bromophenyl)piperazine has a molecular weight of 241.13 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)piperazine is sourced from PubChem (CID 2757153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).