1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine

C16H25BrN2O — CID 64946893

IUPAC1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(c2cc(Br)ccc2OC)C(C(C)C)CN1
InChIInChI=1S/C16H25BrN2O/c1-5-13-10-19(15(9-18-13)11(2)3)14-8-12(17)6-7-16(14)20-4/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyDRYHGJGFWJMXJR-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.67
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine

1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64946893) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64946893
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(c2cc(Br)ccc2OC)C(C(C)C)CN1
InChIInChI=1S/C16H25BrN2O/c1-5-13-10-19(15(9-18-13)11(2)3)14-8-12(17)6-7-16(14)20-4/h6-8,11,13,15,18H,5,9-10H2,1-4H3
InChIKeyDRYHGJGFWJMXJR-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-methylpiperazine
CID 64946315
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
CID 64942325
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 114840927
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125
5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64932840
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 104725347
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine (CID 64946893) is 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(c2cc(Br)ccc2OC)C(C(C)C)CN1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is DRYHGJGFWJMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-5-13-10-19(15(9-18-13)11(2)3)14-8-12(17)6-7-16(14)20-4/h6-8,11,13,15,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine?
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 341.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64946893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).