2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine

C22H21F3N4O — CID 6483169

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
SMILESCOc1ccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1
InChIInChI=1S/C22H21F3N4O/c1-30-19-8-6-18(7-9-19)28-10-12-29(13-11-28)21-15-26-14-20(27-21)16-2-4-17(5-3-16)22(23,24)25/h2-9,14-15H,10-13H2,1H3
InChIKeyFLMAONSOJFHAMA-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine

2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 6483169) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID6483169
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
SMILESCOc1ccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1
InChIInChI=1S/C22H21F3N4O/c1-30-19-8-6-18(7-9-19)28-10-12-29(13-11-28)21-15-26-14-20(27-21)16-2-4-17(5-3-16)22(23,24)25/h2-9,14-15H,10-13H2,1H3
InChIKeyFLMAONSOJFHAMA-UHFFFAOYSA-N
XLogP4.50
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine (CID 6483169) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine is COc1ccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is FLMAONSOJFHAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-30-19-8-6-18(7-9-19)28-10-12-29(13-11-28)21-15-26-14-20(27-21)16-2-4-17(5-3-16)22(23,24)25/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 414.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 6483169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).