1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium

C11H15BrClN2+ — CID 86307200

IUPAC1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium
SMILESC[NH+]1CCN(c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3/p+1
InChIKeyLJISIBKGVWYZLX-UHFFFAOYSA-O
MW290.61 g/mol
LogP1.44
Rot. Bonds1

About 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium

1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium (PubChem CID 86307200) has the molecular formula C11H15BrClN2+ and a molecular weight of 290.61 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium
PubChem CID86307200
Molecular FormulaC11H15BrClN2+
Molecular Weight290.61 g/mol
Exact Mass289.01
IUPAC Name1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium
SMILESC[NH+]1CCN(c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3/p+1
InChIKeyLJISIBKGVWYZLX-UHFFFAOYSA-O
XLogP1.44
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.61
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium (CID 86307200) is 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium is C[NH+]1CCN(c2cc(Cl)ccc2Br)CC1.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium?
The InChIKey is LJISIBKGVWYZLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3/p+1.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium?
1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium has a molecular weight of 290.61 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-4-methylpiperazin-4-ium is sourced from PubChem (CID 86307200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).