1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine

C13H19BrN2 — CID 82264462

IUPAC1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)ccc1Br
InChIInChI=1S/C13H19BrN2/c1-11-10-12(2-3-13(11)14)4-7-16-8-5-15-6-9-16/h2-3,10,15H,4-9H2,1H3
InChIKeyYBLKWZOBZYESHM-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine

1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine (PubChem CID 82264462) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
PubChem CID82264462
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)ccc1Br
InChIInChI=1S/C13H19BrN2/c1-11-10-12(2-3-13(11)14)4-7-16-8-5-15-6-9-16/h2-3,10,15H,4-9H2,1H3
InChIKeyYBLKWZOBZYESHM-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine (CID 82264462) is 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine is Cc1cc(CCN2CCNCC2)ccc1Br.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine?
The InChIKey is YBLKWZOBZYESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-11-10-12(2-3-13(11)14)4-7-16-8-5-15-6-9-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine?
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine has a molecular weight of 283.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 82264462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).