1-(2-bromo-6-fluorophenyl)-4-methylpiperazine

C11H14BrFN2 — CID 139569555

IUPAC1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
SMILESCN1CCN(c2c(F)cccc2Br)CC1
InChIInChI=1S/C11H14BrFN2/c1-14-5-7-15(8-6-14)11-9(12)3-2-4-10(11)13/h2-4H,5-8H2,1H3
InChIKeyFDGCBXDZRCGFML-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.34
Rot. Bonds1

About 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine

1-(2-bromo-6-fluorophenyl)-4-methylpiperazine (PubChem CID 139569555) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
PubChem CID139569555
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
SMILESCN1CCN(c2c(F)cccc2Br)CC1
InChIInChI=1S/C11H14BrFN2/c1-14-5-7-15(8-6-14)11-9(12)3-2-4-10(11)13/h2-4H,5-8H2,1H3
InChIKeyFDGCBXDZRCGFML-UHFFFAOYSA-N
XLogP2.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine (CID 139569555) is 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine is CN1CCN(c2c(F)cccc2Br)CC1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine?
The InChIKey is FDGCBXDZRCGFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-14-5-7-15(8-6-14)11-9(12)3-2-4-10(11)13/h2-4H,5-8H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine?
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine has a molecular weight of 273.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-4-methylpiperazine is sourced from PubChem (CID 139569555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).