2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine

C13H18F3N3 — CID 174276806

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine
SMILESCC(C)C1CCN(c2nccnc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3/c1-9(2)10-3-7-19(8-4-10)12-11(13(14,15)16)17-5-6-18-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVUNKIQMRLGAEAD-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.37
Rot. Bonds2

About 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine

2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine (PubChem CID 174276806) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine
PubChem CID174276806
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine
SMILESCC(C)C1CCN(c2nccnc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3/c1-9(2)10-3-7-19(8-4-10)12-11(13(14,15)16)17-5-6-18-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVUNKIQMRLGAEAD-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine (CID 174276806) is 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine is CC(C)C1CCN(c2nccnc2C(F)(F)F)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
The InChIKey is VUNKIQMRLGAEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9(2)10-3-7-19(8-4-10)12-11(13(14,15)16)17-5-6-18-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine?
2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine has a molecular weight of 273.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 174276806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).