1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine

C17H27BrN2 — CID 81288854

IUPAC1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCc1cc(Br)ccc1N1CC(C(C)C)NCC1CC
InChIInChI=1S/C17H27BrN2/c1-5-13-9-14(18)7-8-17(13)20-11-16(12(3)4)19-10-15(20)6-2/h7-9,12,15-16,19H,5-6,10-11H2,1-4H3
InChIKeyKRTGSPWHELHFCC-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.22
Rot. Bonds4

About 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine

1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine (PubChem CID 81288854) 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-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
PubChem CID81288854
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCc1cc(Br)ccc1N1CC(C(C)C)NCC1CC
InChIInChI=1S/C17H27BrN2/c1-5-13-9-14(18)7-8-17(13)20-11-16(12(3)4)19-10-15(20)6-2/h7-9,12,15-16,19H,5-6,10-11H2,1-4H3
InChIKeyKRTGSPWHELHFCC-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
CID 81289528
1-(4-bromo-2-ethylphenyl)-2-ethylpiperazine
CID 81287006
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64936357
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine (CID 81288854) is 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine is CCc1cc(Br)ccc1N1CC(C(C)C)NCC1CC.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
The InChIKey is KRTGSPWHELHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-5-13-9-14(18)7-8-17(13)20-11-16(12(3)4)19-10-15(20)6-2/h7-9,12,15-16,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine?
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine has a molecular weight of 339.32 g/mol, XLogP of 4.22, 4 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-propan-2-ylpiperazine is sourced from PubChem (CID 81288854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).