2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine

C22H25F4N3O — CID 141382213

IUPAC2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine
SMILESFc1ccccc1-c1cnc(OCC2CCN(CC3(C(F)(F)F)CCC3)CC2)cn1
InChIInChI=1S/C22H25F4N3O/c23-18-5-2-1-4-17(18)19-12-28-20(13-27-19)30-14-16-6-10-29(11-7-16)15-21(8-3-9-21)22(24,25)26/h1-2,4-5,12-13,16H,3,6-11,14-15H2
InChIKeyTYFSKWLVBYLHKC-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine

2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine (PubChem CID 141382213) has the molecular formula C22H25F4N3O and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine
PubChem CID141382213
Molecular FormulaC22H25F4N3O
Molecular Weight423.45 g/mol
Exact Mass423.19
IUPAC Name2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine
SMILESFc1ccccc1-c1cnc(OCC2CCN(CC3(C(F)(F)F)CCC3)CC2)cn1
InChIInChI=1S/C22H25F4N3O/c23-18-5-2-1-4-17(18)19-12-28-20(13-27-19)30-14-16-6-10-29(11-7-16)15-21(8-3-9-21)22(24,25)26/h1-2,4-5,12-13,16H,3,6-11,14-15H2
InChIKeyTYFSKWLVBYLHKC-UHFFFAOYSA-N
XLogP5.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine (CID 141382213) is 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine is Fc1ccccc1-c1cnc(OCC2CCN(CC3(C(F)(F)F)CCC3)CC2)cn1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine?
The InChIKey is TYFSKWLVBYLHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N3O/c23-18-5-2-1-4-17(18)19-12-28-20(13-27-19)30-14-16-6-10-29(11-7-16)15-21(8-3-9-21)22(24,25)26/h1-2,4-5,12-13,16H,3,6-11,14-15H2.
What are the key properties of 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine?
2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine has a molecular weight of 423.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 141382213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).