1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine

C16H25BrN2 — CID 82758286

IUPAC1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(C)ccc2Br)C(CC)CN1
InChIInChI=1S/C16H25BrN2/c1-4-6-13-11-19(14(5-2)10-18-13)16-9-12(3)7-8-15(16)17/h7-9,13-14,18H,4-6,10-11H2,1-3H3
InChIKeyXZJUXOYDBJWGLT-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine

1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine (PubChem CID 82758286) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
PubChem CID82758286
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(C)ccc2Br)C(CC)CN1
InChIInChI=1S/C16H25BrN2/c1-4-6-13-11-19(14(5-2)10-18-13)16-9-12(3)7-8-15(16)17/h7-9,13-14,18H,4-6,10-11H2,1-3H3
InChIKeyXZJUXOYDBJWGLT-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propylpiperazine
CID 81289528
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
CID 64933636
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
CID 64979070
2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
CID 64845190
1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
CID 107579958
2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine (CID 82758286) is 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine is CCCC1CN(c2cc(C)ccc2Br)C(CC)CN1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine?
The InChIKey is XZJUXOYDBJWGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-6-13-11-19(14(5-2)10-18-13)16-9-12(3)7-8-15(16)17/h7-9,13-14,18H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine?
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine has a molecular weight of 325.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 82758286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).