1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine

C17H27BrN2 — CID 107579892

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H27BrN2/c1-6-14-10-19-17(5,7-2)11-20(14)15-8-12(3)16(18)13(4)9-15/h8-9,14,19H,6-7,10-11H2,1-5H3
InChIKeyDWLKOCUALKYGCQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine

1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 107579892) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
PubChem CID107579892
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H27BrN2/c1-6-14-10-19-17(5,7-2)11-20(14)15-8-12(3)16(18)13(4)9-15/h8-9,14,19H,6-7,10-11H2,1-5H3
InChIKeyDWLKOCUALKYGCQ-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
CID 64934365
1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
CID 64930171
2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64931968
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933561
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
6-(2,5-diethyl-5-methylpiperazin-1-yl)quinoline
CID 64941343
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine (CID 107579892) is 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is DWLKOCUALKYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-6-14-10-19-17(5,7-2)11-20(14)15-8-12(3)16(18)13(4)9-15/h8-9,14,19H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine?
1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 339.32 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 107579892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).