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

C16H25BrN2O — CID 64840072

IUPAC1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1CCOc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-4-14-11-18-16(2,3)12-19(14)9-10-20-15-7-5-13(17)6-8-15/h5-8,14,18H,4,9-12H2,1-3H3
InChIKeyQASXKYWKHLHGML-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.29
Rot. Bonds5

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

1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64840072) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID64840072
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1CCOc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-4-14-11-18-16(2,3)12-19(14)9-10-20-15-7-5-13(17)6-8-15/h5-8,14,18H,4,9-12H2,1-3H3
InChIKeyQASXKYWKHLHGML-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.29
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-5,5-dimethylpiperazine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine (CID 64840072) is 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is QASXKYWKHLHGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-14-11-18-16(2,3)12-19(14)9-10-20-15-7-5-13(17)6-8-15/h5-8,14,18H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine?
1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 341.29 g/mol, XLogP of 3.29, 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-5,5-dimethylpiperazine is sourced from PubChem (CID 64840072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).