1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine

C16H24BrClN2 — CID 104725347

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(c2cc(Cl)c(C)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C16H24BrClN2/c1-5-12-9-20(16(8-19-12)10(2)3)15-7-14(18)11(4)6-13(15)17/h6-7,10,12,16,19H,5,8-9H2,1-4H3
InChIKeyKVDJVUZYNJRKOE-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.62
Rot. Bonds3

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

1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 104725347) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
PubChem CID104725347
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(c2cc(Cl)c(C)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C16H24BrClN2/c1-5-12-9-20(16(8-19-12)10(2)3)15-7-14(18)11(4)6-13(15)17/h6-7,10,12,16,19H,5,8-9H2,1-4H3
InChIKeyKVDJVUZYNJRKOE-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
CID 64942325
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(3-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242
1-(4-tert-butylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64932942

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine (CID 104725347) is 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(c2cc(Cl)c(C)cc2Br)C(C(C)C)CN1.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is KVDJVUZYNJRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-5-12-9-20(16(8-19-12)10(2)3)15-7-14(18)11(4)6-13(15)17/h6-7,10,12,16,19H,5,8-9H2,1-4H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine?
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 359.74 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 104725347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).