1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C17H27BrN2 — CID 64933605

IUPAC1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2cc(Br)ccc2C)C(C(C)C)CN1
InChIInChI=1S/C17H27BrN2/c1-6-17(5)11-20(16(10-19-17)12(2)3)15-9-14(18)8-7-13(15)4/h7-9,12,16,19H,6,10-11H2,1-5H3
InChIKeyUAINPMGSNJSTRB-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.36
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64933605) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64933605
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2cc(Br)ccc2C)C(C(C)C)CN1
InChIInChI=1S/C17H27BrN2/c1-6-17(5)11-20(16(10-19-17)12(2)3)15-9-14(18)8-7-13(15)4/h7-9,12,16,19H,6,10-11H2,1-5H3
InChIKeyUAINPMGSNJSTRB-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
CID 64934365
1-(2-bromo-3-chlorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 103481721
1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64934684
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64942138
1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64935637
1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 107603929
1-(2,4-dibromophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946247
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-(6-bromonaphthalen-2-yl)-5-ethyl-2,5-dimethylpiperazine
CID 81267340
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64933605) is 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(c2cc(Br)ccc2C)C(C(C)C)CN1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is UAINPMGSNJSTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-6-17(5)11-20(16(10-19-17)12(2)3)15-9-14(18)8-7-13(15)4/h7-9,12,16,19H,6,10-11H2,1-5H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 339.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64933605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).