1-(4-bromo-3-chlorophenyl)-2-methylpiperazine

C11H14BrClN2 — CID 107617353

IUPAC1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2/c1-8-7-14-4-5-15(8)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyOKPROZQWEHCYDL-UHFFFAOYSA-N
MW289.60 g/mol
LogP2.90
Rot. Bonds1

About 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine

1-(4-bromo-3-chlorophenyl)-2-methylpiperazine (PubChem CID 107617353) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
PubChem CID107617353
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2/c1-8-7-14-4-5-15(8)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyOKPROZQWEHCYDL-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine (CID 107617353) is 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine is CC1CNCCN1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine?
The InChIKey is OKPROZQWEHCYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-8-7-14-4-5-15(8)9-2-3-10(12)11(13)6-9/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine?
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine has a molecular weight of 289.60 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-methylpiperazine is sourced from PubChem (CID 107617353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).