2-(2-bromophenyl)-1,2,4-trimethylpiperazine

C13H19BrN2 — CID 116856569

IUPAC2-(2-bromophenyl)-1,2,4-trimethylpiperazine
SMILESCN1CCN(C)C(C)(c2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2/c1-13(10-15(2)8-9-16(13)3)11-6-4-5-7-12(11)14/h4-7H,8-10H2,1-3H3
InChIKeyQCPQWQMSJJIPTO-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-bromophenyl)-1,2,4-trimethylpiperazine

2-(2-bromophenyl)-1,2,4-trimethylpiperazine (PubChem CID 116856569) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,2,4-trimethylpiperazine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,2,4-trimethylpiperazine
PubChem CID116856569
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-(2-bromophenyl)-1,2,4-trimethylpiperazine
SMILESCN1CCN(C)C(C)(c2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2/c1-13(10-15(2)8-9-16(13)3)11-6-4-5-7-12(11)14/h4-7H,8-10H2,1-3H3
InChIKeyQCPQWQMSJJIPTO-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,2,4-trimethylpiperazine?
The IUPAC name of 2-(2-bromophenyl)-1,2,4-trimethylpiperazine (CID 116856569) is 2-(2-bromophenyl)-1,2,4-trimethylpiperazine.
What is the SMILES notation for 2-(2-bromophenyl)-1,2,4-trimethylpiperazine?
The canonical SMILES for 2-(2-bromophenyl)-1,2,4-trimethylpiperazine is CN1CCN(C)C(C)(c2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)-1,2,4-trimethylpiperazine?
The InChIKey is QCPQWQMSJJIPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-13(10-15(2)8-9-16(13)3)11-6-4-5-7-12(11)14/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1,2,4-trimethylpiperazine?
2-(2-bromophenyl)-1,2,4-trimethylpiperazine has a molecular weight of 283.21 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,2,4-trimethylpiperazine is sourced from PubChem (CID 116856569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).