1-(3-bromo-5-methylphenyl)-3-ethylpiperazine

C13H19BrN2 — CID 107580054

IUPAC1-(3-bromo-5-methylphenyl)-3-ethylpiperazine
SMILESCCC1CN(c2cc(C)cc(Br)c2)CCN1
InChIInChI=1S/C13H19BrN2/c1-3-12-9-16(5-4-15-12)13-7-10(2)6-11(14)8-13/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyLHMYSUFFPQXKKQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.95
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine

1-(3-bromo-5-methylphenyl)-3-ethylpiperazine (PubChem CID 107580054) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-3-ethylpiperazine
PubChem CID107580054
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(3-bromo-5-methylphenyl)-3-ethylpiperazine
SMILESCCC1CN(c2cc(C)cc(Br)c2)CCN1
InChIInChI=1S/C13H19BrN2/c1-3-12-9-16(5-4-15-12)13-7-10(2)6-11(14)8-13/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyLHMYSUFFPQXKKQ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine (CID 107580054) is 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine is CCC1CN(c2cc(C)cc(Br)c2)CCN1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine?
The InChIKey is LHMYSUFFPQXKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-3-12-9-16(5-4-15-12)13-7-10(2)6-11(14)8-13/h6-8,12,15H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine?
1-(3-bromo-5-methylphenyl)-3-ethylpiperazine has a molecular weight of 283.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-3-ethylpiperazine is sourced from PubChem (CID 107580054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).