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

C11H16BrN3 — CID 84712711

IUPAC1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
SMILESBrc1cnccc1CCN1CCNCC1
InChIInChI=1S/C11H16BrN3/c12-11-9-14-3-1-10(11)2-6-15-7-4-13-5-8-15/h1,3,9,13H,2,4-8H2
InChIKeyJPZLWPIWRPHQFL-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.29
Rot. Bonds3

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

1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine (PubChem CID 84712711) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
PubChem CID84712711
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
SMILESBrc1cnccc1CCN1CCNCC1
InChIInChI=1S/C11H16BrN3/c12-11-9-14-3-1-10(11)2-6-15-7-4-13-5-8-15/h1,3,9,13H,2,4-8H2
InChIKeyJPZLWPIWRPHQFL-UHFFFAOYSA-N
XLogP1.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
CID 83890061
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-[2-(2-bromothiophen-3-yl)ethyl]piperazine
CID 82667485
3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
CID 84744350
1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
CID 84702608
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
CID 84801861
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
CID 82667448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine (CID 84712711) is 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine is Brc1cnccc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine?
The InChIKey is JPZLWPIWRPHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-11-9-14-3-1-10(11)2-6-15-7-4-13-5-8-15/h1,3,9,13H,2,4-8H2.
What are the key properties of 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine?
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine has a molecular weight of 270.17 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 84712711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).