1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine

C12H16BrClN2 — CID 81271640

IUPAC1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
SMILESCCC1CN(c2ccc(Cl)cc2Br)CCN1
InChIInChI=1S/C12H16BrClN2/c1-2-10-8-16(6-5-15-10)12-4-3-9(14)7-11(12)13/h3-4,7,10,15H,2,5-6,8H2,1H3
InChIKeyKVFHCNMQSHIESK-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine

1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine (PubChem CID 81271640) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
PubChem CID81271640
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
SMILESCCC1CN(c2ccc(Cl)cc2Br)CCN1
InChIInChI=1S/C12H16BrClN2/c1-2-10-8-16(6-5-15-10)12-4-3-9(14)7-11(12)13/h3-4,7,10,15H,2,5-6,8H2,1H3
InChIKeyKVFHCNMQSHIESK-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine (CID 81271640) is 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine is CCC1CN(c2ccc(Cl)cc2Br)CCN1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine?
The InChIKey is KVFHCNMQSHIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-2-10-8-16(6-5-15-10)12-4-3-9(14)7-11(12)13/h3-4,7,10,15H,2,5-6,8H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine?
1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine has a molecular weight of 303.63 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine is sourced from PubChem (CID 81271640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).