1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride

C11H16BrCl2FN2 — CID 146049214

IUPAC1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride
SMILESCC1CNCCN1c1ccc(Br)cc1F.Cl.Cl
InChIInChI=1S/C11H14BrFN2.2ClH/c1-8-7-14-4-5-15(8)11-3-2-9(12)6-10(11)13;;/h2-3,6,8,14H,4-5,7H2,1H3;2*1H
InChIKeyRZCFKVMOXMHVMA-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.23
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride

1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride (PubChem CID 146049214) has the molecular formula C11H16BrCl2FN2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride
PubChem CID146049214
Molecular FormulaC11H16BrCl2FN2
Molecular Weight346.07 g/mol
Exact Mass343.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride
SMILESCC1CNCCN1c1ccc(Br)cc1F.Cl.Cl
InChIInChI=1S/C11H14BrFN2.2ClH/c1-8-7-14-4-5-15(8)11-3-2-9(12)6-10(11)13;;/h2-3,6,8,14H,4-5,7H2,1H3;2*1H
InChIKeyRZCFKVMOXMHVMA-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride (CID 146049214) is 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride is CC1CNCCN1c1ccc(Br)cc1F.Cl.Cl.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride?
The InChIKey is RZCFKVMOXMHVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2.2ClH/c1-8-7-14-4-5-15(8)11-3-2-9(12)6-10(11)13;;/h2-3,6,8,14H,4-5,7H2,1H3;2*1H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride?
1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride has a molecular weight of 346.07 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-methylpiperazine;dihydrochloride is sourced from PubChem (CID 146049214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).