1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine

C17H27BrN2O — CID 64840961

IUPAC1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(CCOc2ccc(Br)cc2)C(C(C)C)CN1
InChIInChI=1S/C17H27BrN2O/c1-4-15-12-20(17(11-19-15)13(2)3)9-10-21-16-7-5-14(18)6-8-16/h5-8,13,15,17,19H,4,9-12H2,1-3H3
InChIKeyKGFRMPPRROFKKJ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine

1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64840961) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64840961
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(CCOc2ccc(Br)cc2)C(C(C)C)CN1
InChIInChI=1S/C17H27BrN2O/c1-4-15-12-20(17(11-19-15)13(2)3)9-10-21-16-7-5-14(18)6-8-16/h5-8,13,15,17,19H,4,9-12H2,1-3H3
InChIKeyKGFRMPPRROFKKJ-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
2,5-diethyl-1-[2-(4-fluorophenoxy)ethyl]piperazine
CID 64978713
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846879
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 64870356
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 106043817
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine (CID 64840961) is 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(CCOc2ccc(Br)cc2)C(C(C)C)CN1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is KGFRMPPRROFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-15-12-20(17(11-19-15)13(2)3)9-10-21-16-7-5-14(18)6-8-16/h5-8,13,15,17,19H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[2-(4-bromophenoxy)ethyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 355.32 g/mol, XLogP of 3.54, 6 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]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64840961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).