1-(4-bromophenyl)-4-methylpiperazine

C11H15BrN2 — CID 11817675

IUPAC1-(4-bromophenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyWCOODAWUEIXTFL-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-bromophenyl)-4-methylpiperazine

1-(4-bromophenyl)-4-methylpiperazine (PubChem CID 11817675) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methylpiperazine
PubChem CID11817675
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-(4-bromophenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyWCOODAWUEIXTFL-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-bromophenyl)-4-methylpiperazine (CID 11817675) is 1-(4-bromophenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-methylpiperazine is CN1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-methylpiperazine?
The InChIKey is WCOODAWUEIXTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-methylpiperazine?
1-(4-bromophenyl)-4-methylpiperazine has a molecular weight of 255.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methylpiperazine is sourced from PubChem (CID 11817675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).