2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine

C14H15BrN4O — CID 84610306

IUPAC2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine
SMILESBrc1cccc(Oc2cnc(N3CCNCC3)cn2)c1
InChIInChI=1S/C14H15BrN4O/c15-11-2-1-3-12(8-11)20-14-10-17-13(9-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2
InChIKeyUMLOXQSLABZPSZ-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.44
Rot. Bonds3

About 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine

2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine (PubChem CID 84610306) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine
PubChem CID84610306
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine
SMILESBrc1cccc(Oc2cnc(N3CCNCC3)cn2)c1
InChIInChI=1S/C14H15BrN4O/c15-11-2-1-3-12(8-11)20-14-10-17-13(9-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2
InChIKeyUMLOXQSLABZPSZ-UHFFFAOYSA-N
XLogP2.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119417259
4-(3-fluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24715764
1-(6-phenoxy-2-pyridinyl)piperazine
CID 18186800
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71879575
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
2-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-5-piperazin-1-ylpyrazine
CID 143780648
5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 66876144
4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716048
1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
CID 22640139

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine?
The IUPAC name of 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine (CID 84610306) is 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine?
The canonical SMILES for 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine is Brc1cccc(Oc2cnc(N3CCNCC3)cn2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine?
The InChIKey is UMLOXQSLABZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-11-2-1-3-12(8-11)20-14-10-17-13(9-18-14)19-6-4-16-5-7-19/h1-3,8-10,16H,4-7H2.
What are the key properties of 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine?
2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine has a molecular weight of 335.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-5-piperazin-1-ylpyrazine is sourced from PubChem (CID 84610306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).