2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine

C17H19F3N4O — CID 163350356

IUPAC2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C17H19F3N4O/c1-11-10-22-12(2)16(23-11)25-13-5-8-24(9-6-13)15-14(17(18,19)20)4-3-7-21-15/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyPZYNSVJDFCLASV-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.56
Rot. Bonds3

About 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine

2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine (PubChem CID 163350356) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine
PubChem CID163350356
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine
SMILESCc1cnc(C)c(OC2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C17H19F3N4O/c1-11-10-22-12(2)16(23-11)25-13-5-8-24(9-6-13)15-14(17(18,19)20)4-3-7-21-15/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyPZYNSVJDFCLASV-UHFFFAOYSA-N
XLogP3.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine (CID 163350356) is 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine is Cc1cnc(C)c(OC2CCN(c3ncccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine?
The InChIKey is PZYNSVJDFCLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-10-22-12(2)16(23-11)25-13-5-8-24(9-6-13)15-14(17(18,19)20)4-3-7-21-15/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine?
2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine has a molecular weight of 352.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 163350356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).