1-(2-bromo-4-ethylphenyl)piperazine

C12H17BrN2 — CID 84712435

IUPAC1-(2-bromo-4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCNCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2/c1-2-10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyMPLQAYBHFBEIQC-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-bromo-4-ethylphenyl)piperazine

1-(2-bromo-4-ethylphenyl)piperazine (PubChem CID 84712435) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(2-bromo-4-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-bromo-4-ethylphenyl)piperazine
PubChem CID84712435
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(2-bromo-4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCNCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2/c1-2-10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3
InChIKeyMPLQAYBHFBEIQC-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-ethylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4-chlorophenyl)-1,4-diazepane
CID 81272279
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-[2-bromo-4-(1-fluoroethyl)phenyl]-1,4-diazepane
CID 115053441
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1-[4-(aminomethyl)-2-bromophenyl]-1,4-diazepan-5-one
CID 82795326
1-(4-ethyl-2,3-dimethylphenyl)piperazine
CID 138531661
3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236321
N-[(3-bromo-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 114062690
2-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 117482011
1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117478728
1-(3-bromo-4-pyrrolidin-1-ylphenyl)propan-2-one
CID 117453199
2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethylphenyl)piperazine?
The IUPAC name of 1-(2-bromo-4-ethylphenyl)piperazine (CID 84712435) is 1-(2-bromo-4-ethylphenyl)piperazine.
What is the SMILES notation for 1-(2-bromo-4-ethylphenyl)piperazine?
The canonical SMILES for 1-(2-bromo-4-ethylphenyl)piperazine is CCc1ccc(N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethylphenyl)piperazine?
The InChIKey is MPLQAYBHFBEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 1-(2-bromo-4-ethylphenyl)piperazine?
1-(2-bromo-4-ethylphenyl)piperazine has a molecular weight of 269.19 g/mol, XLogP of 2.42, 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-ethylphenyl)piperazine is sourced from PubChem (CID 84712435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).