1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine

C17H27BrN2O — CID 64843043

IUPAC1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CCOc1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O/c1-5-17(4)12-19-16(2,3)13-20(17)10-11-21-15-8-6-14(18)7-9-15/h6-9,19H,5,10-13H2,1-4H3
InChIKeyZEXLNGFJHDETSX-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.68
Rot. Bonds5

About 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine

1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine (PubChem CID 64843043) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine
PubChem CID64843043
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CCOc1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O/c1-5-17(4)12-19-16(2,3)13-20(17)10-11-21-15-8-6-14(18)7-9-15/h6-9,19H,5,10-13H2,1-4H3
InChIKeyZEXLNGFJHDETSX-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine (CID 64843043) is 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine?
The InChIKey is ZEXLNGFJHDETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-17(4)12-19-16(2,3)13-20(17)10-11-21-15-8-6-14(18)7-9-15/h6-9,19H,5,10-13H2,1-4H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine?
1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine has a molecular weight of 355.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64843043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).