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

C23H23F3N4O — CID 56658802

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C23H23F3N4O/c1-31-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22(19-16-27-10-11-28-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,16,22H,12-15H2,1H3
InChIKeyZOOMOAJHSVDRKI-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.42
Rot. Bonds5

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

2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine (PubChem CID 56658802) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine
PubChem CID56658802
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1
InChIInChI=1S/C23H23F3N4O/c1-31-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22(19-16-27-10-11-28-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,16,22H,12-15H2,1H3
InChIKeyZOOMOAJHSVDRKI-UHFFFAOYSA-N
XLogP4.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine (CID 56658802) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine is COc1ccccc1N1CCN(C(c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine?
The InChIKey is ZOOMOAJHSVDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-31-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22(19-16-27-10-11-28-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,16,22H,12-15H2,1H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine has a molecular weight of 428.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyrazine is sourced from PubChem (CID 56658802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).