2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine

C17H22N4O2 — CID 22036316

IUPAC2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine
SMILESCC(COc1ccccc1)Oc1nccnc1N1CCNCC1
InChIInChI=1S/C17H22N4O2/c1-14(13-22-15-5-3-2-4-6-15)23-17-16(19-7-8-20-17)21-11-9-18-10-12-21/h2-8,14,18H,9-13H2,1H3
InChIKeyWKXCRKSKZCLOTL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.73
Rot. Bonds6

About 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine

2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine (PubChem CID 22036316) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine
PubChem CID22036316
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine
SMILESCC(COc1ccccc1)Oc1nccnc1N1CCNCC1
InChIInChI=1S/C17H22N4O2/c1-14(13-22-15-5-3-2-4-6-15)23-17-16(19-7-8-20-17)21-11-9-18-10-12-21/h2-8,14,18H,9-13H2,1H3
InChIKeyWKXCRKSKZCLOTL-UHFFFAOYSA-N
XLogP1.73
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine (CID 22036316) is 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine is CC(COc1ccccc1)Oc1nccnc1N1CCNCC1.
What is the InChIKey of 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine?
The InChIKey is WKXCRKSKZCLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14(13-22-15-5-3-2-4-6-15)23-17-16(19-7-8-20-17)21-11-9-18-10-12-21/h2-8,14,18H,9-13H2,1H3.
What are the key properties of 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine?
2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine has a molecular weight of 314.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxypropan-2-yloxy)-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 22036316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).