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

C17H19F3N4O2 — CID 22036266

IUPAC2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine
SMILESFC(F)(F)c1ccccc1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)25-11-12-26-16-15(22-5-6-23-16)24-9-7-21-8-10-24/h1-6,21H,7-12H2
InChIKeyDQTHULHJXCIXBN-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.36
Rot. Bonds6

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

2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine (PubChem CID 22036266) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine.

Molecular Properties

Compound Name2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine
PubChem CID22036266
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine
SMILESFC(F)(F)c1ccccc1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)25-11-12-26-16-15(22-5-6-23-16)24-9-7-21-8-10-24/h1-6,21H,7-12H2
InChIKeyDQTHULHJXCIXBN-UHFFFAOYSA-N
XLogP2.36
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine?
The IUPAC name of 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine (CID 22036266) is 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine.
What is the SMILES notation for 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine?
The canonical SMILES for 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine is FC(F)(F)c1ccccc1OCCOc1nccnc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine?
The InChIKey is DQTHULHJXCIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)25-11-12-26-16-15(22-5-6-23-16)24-9-7-21-8-10-24/h1-6,21H,7-12H2.
What are the key properties of 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine?
2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine has a molecular weight of 368.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine is sourced from PubChem (CID 22036266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).