1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine

C17H27BrN2 — CID 81289528

IUPAC1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(Br)cc2CC)C(CC)CN1
InChIInChI=1S/C17H27BrN2/c1-4-7-15-12-20(16(6-3)11-19-15)17-9-8-14(18)10-13(17)5-2/h8-10,15-16,19H,4-7,11-12H2,1-3H3
InChIKeyDXJVBYPXDUDDHM-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.37
Rot. Bonds5

About 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine

1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine (PubChem CID 81289528) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
PubChem CID81289528
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(Br)cc2CC)C(CC)CN1
InChIInChI=1S/C17H27BrN2/c1-4-7-15-12-20(16(6-3)11-19-15)17-9-8-14(18)10-13(17)5-2/h8-10,15-16,19H,4-7,11-12H2,1-3H3
InChIKeyDXJVBYPXDUDDHM-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
CID 81287006
1-(4-bromo-2-ethylphenyl)-3-propyl-1,4-diazepane
CID 81289696
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
CID 107579958
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine (CID 81289528) is 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine is CCCC1CN(c2ccc(Br)cc2CC)C(CC)CN1.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine?
The InChIKey is DXJVBYPXDUDDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-7-15-12-20(16(6-3)11-19-15)17-9-8-14(18)10-13(17)5-2/h8-10,15-16,19H,4-7,11-12H2,1-3H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine?
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine has a molecular weight of 339.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 81289528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).