1-(4-bromo-2,5-dimethoxyphenyl)piperazine

C12H17BrN2O2 — CID 4738744

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)piperazine
SMILESCOc1cc(N2CCNCC2)c(OC)cc1Br
InChIInChI=1S/C12H17BrN2O2/c1-16-11-8-10(12(17-2)7-9(11)13)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKeyJLAQUWGWRNMYGA-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-bromo-2,5-dimethoxyphenyl)piperazine

1-(4-bromo-2,5-dimethoxyphenyl)piperazine (PubChem CID 4738744) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)piperazine
PubChem CID4738744
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)piperazine
SMILESCOc1cc(N2CCNCC2)c(OC)cc1Br
InChIInChI=1S/C12H17BrN2O2/c1-16-11-8-10(12(17-2)7-9(11)13)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKeyJLAQUWGWRNMYGA-UHFFFAOYSA-N
XLogP1.88
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)piperazine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)piperazine (CID 4738744) is 1-(4-bromo-2,5-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)piperazine is COc1cc(N2CCNCC2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)piperazine?
The InChIKey is JLAQUWGWRNMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-16-11-8-10(12(17-2)7-9(11)13)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)piperazine?
1-(4-bromo-2,5-dimethoxyphenyl)piperazine has a molecular weight of 301.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)piperazine is sourced from PubChem (CID 4738744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).