2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine

C22H21F3N4 — CID 95819638

IUPAC2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccncc4)CC3)n2)c1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)19-3-1-2-18(12-19)21-14-27-13-20(28-21)17-6-10-29(11-7-17)15-16-4-8-26-9-5-16/h1-5,8-9,12-14,17H,6-7,10-11,15H2
InChIKeyWSLOXHONQMLZEI-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.94
Rot. Bonds4

About 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine

2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine (PubChem CID 95819638) has the molecular formula C22H21F3N4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
PubChem CID95819638
Molecular FormulaC22H21F3N4
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccncc4)CC3)n2)c1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)19-3-1-2-18(12-19)21-14-27-13-20(28-21)17-6-10-29(11-7-17)15-16-4-8-26-9-5-16/h1-5,8-9,12-14,17H,6-7,10-11,15H2
InChIKeyWSLOXHONQMLZEI-UHFFFAOYSA-N
XLogP4.94
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine (CID 95819638) is 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccncc4)CC3)n2)c1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is WSLOXHONQMLZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4/c23-22(24,25)19-3-1-2-18(12-19)21-14-27-13-20(28-21)17-6-10-29(11-7-17)15-16-4-8-26-9-5-16/h1-5,8-9,12-14,17H,6-7,10-11,15H2.
What are the key properties of 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine?
2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 398.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 95819638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).