2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine

C22H22F2N4O — CID 6482846

IUPAC2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4F)CC3)n2)cc1
InChIInChI=1S/C22H22F2N4O/c1-2-29-18-6-3-16(4-7-18)20-14-25-15-22(26-20)28-11-9-27(10-12-28)21-8-5-17(23)13-19(21)24/h3-8,13-15H,2,9-12H2,1H3
InChIKeyVZTWKAJAYWIJCI-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.15
Rot. Bonds5

About 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine

2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine (PubChem CID 6482846) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine
PubChem CID6482846
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4F)CC3)n2)cc1
InChIInChI=1S/C22H22F2N4O/c1-2-29-18-6-3-16(4-7-18)20-14-25-15-22(26-20)28-11-9-27(10-12-28)21-8-5-17(23)13-19(21)24/h3-8,13-15H,2,9-12H2,1H3
InChIKeyVZTWKAJAYWIJCI-UHFFFAOYSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine?
The IUPAC name of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine (CID 6482846) is 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine is CCOc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4F)CC3)n2)cc1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine?
The InChIKey is VZTWKAJAYWIJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-2-29-18-6-3-16(4-7-18)20-14-25-15-22(26-20)28-11-9-27(10-12-28)21-8-5-17(23)13-19(21)24/h3-8,13-15H,2,9-12H2,1H3.
What are the key properties of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine?
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine has a molecular weight of 396.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine is sourced from PubChem (CID 6482846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).