2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine

C14H16F3N5 — CID 128977568

IUPAC2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H16F3N5/c1-21-9-11(14(15,16)17)20-13(21)10-3-2-6-22(8-10)12-7-18-4-5-19-12/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyXREIQDDYYGWMNW-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.61
Rot. Bonds2

About 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine

2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine (PubChem CID 128977568) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
PubChem CID128977568
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H16F3N5/c1-21-9-11(14(15,16)17)20-13(21)10-3-2-6-22(8-10)12-7-18-4-5-19-12/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyXREIQDDYYGWMNW-UHFFFAOYSA-N
XLogP2.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 124710767
CID 124710767
CID 124710768
CID 124710768
CID 71996185
CID 71996185
CID 72864312
CID 72864312
CID 110250031
CID 110250031
CID 110250038
CID 110250038
CID 121552282
CID 121552282
CID 162407981
CID 162407981
CID 70704352
CID 70704352
CID 86803437
CID 86803437
CID 125143380
CID 125143380
CID 129610712
CID 129610712

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine (CID 128977568) is 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine is Cn1cc(C(F)(F)F)nc1C1CCCN(c2cnccn2)C1.
What is the InChIKey of 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
The InChIKey is XREIQDDYYGWMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-21-9-11(14(15,16)17)20-13(21)10-3-2-6-22(8-10)12-7-18-4-5-19-12/h4-5,7,9-10H,2-3,6,8H2,1H3.
What are the key properties of 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine?
2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine has a molecular weight of 311.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 128977568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).