2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine

C17H19F3N4O3 — CID 22036299

IUPAC2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine
SMILESFC(F)(F)Oc1cccc(OCCOc2nccnc2N2CCNCC2)c1
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)27-14-3-1-2-13(12-14)25-10-11-26-16-15(22-4-5-23-16)24-8-6-21-7-9-24/h1-5,12,21H,6-11H2
InChIKeyHTQZGTZNEJGNCW-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.24
Rot. Bonds7

About 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine

2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine (PubChem CID 22036299) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine.

Molecular Properties

Compound Name2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine
PubChem CID22036299
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine
SMILESFC(F)(F)Oc1cccc(OCCOc2nccnc2N2CCNCC2)c1
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)27-14-3-1-2-13(12-14)25-10-11-26-16-15(22-4-5-23-16)24-8-6-21-7-9-24/h1-5,12,21H,6-11H2
InChIKeyHTQZGTZNEJGNCW-UHFFFAOYSA-N
XLogP2.24
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine?
The IUPAC name of 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine (CID 22036299) is 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine.
What is the SMILES notation for 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine?
The canonical SMILES for 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine is FC(F)(F)Oc1cccc(OCCOc2nccnc2N2CCNCC2)c1.
What is the InChIKey of 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine?
The InChIKey is HTQZGTZNEJGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c18-17(19,20)27-14-3-1-2-13(12-14)25-10-11-26-16-15(22-4-5-23-16)24-8-6-21-7-9-24/h1-5,12,21H,6-11H2.
What are the key properties of 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine?
2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine has a molecular weight of 384.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]pyrazine is sourced from PubChem (CID 22036299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).