2-tert-butyl-6-piperidin-4-yloxypyrazine

C13H21N3O — CID 58523692

IUPAC2-tert-butyl-6-piperidin-4-yloxypyrazine
SMILESCC(C)(C)c1cncc(OC2CCNCC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-8-15-9-12(16-11)17-10-4-6-14-7-5-10/h8-10,14H,4-7H2,1-3H3
InChIKeyWEBQUDFWZFVRJE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds2

About 2-tert-butyl-6-piperidin-4-yloxypyrazine

2-tert-butyl-6-piperidin-4-yloxypyrazine (PubChem CID 58523692) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-tert-butyl-6-piperidin-4-yloxypyrazine.

Molecular Properties

Compound Name2-tert-butyl-6-piperidin-4-yloxypyrazine
PubChem CID58523692
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-tert-butyl-6-piperidin-4-yloxypyrazine
SMILESCC(C)(C)c1cncc(OC2CCNCC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)11-8-15-9-12(16-11)17-10-4-6-14-7-5-10/h8-10,14H,4-7H2,1-3H3
InChIKeyWEBQUDFWZFVRJE-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-piperidin-4-yloxypyrazine?
The IUPAC name of 2-tert-butyl-6-piperidin-4-yloxypyrazine (CID 58523692) is 2-tert-butyl-6-piperidin-4-yloxypyrazine.
What is the SMILES notation for 2-tert-butyl-6-piperidin-4-yloxypyrazine?
The canonical SMILES for 2-tert-butyl-6-piperidin-4-yloxypyrazine is CC(C)(C)c1cncc(OC2CCNCC2)n1.
What is the InChIKey of 2-tert-butyl-6-piperidin-4-yloxypyrazine?
The InChIKey is WEBQUDFWZFVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)11-8-15-9-12(16-11)17-10-4-6-14-7-5-10/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-6-piperidin-4-yloxypyrazine?
2-tert-butyl-6-piperidin-4-yloxypyrazine has a molecular weight of 235.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-piperidin-4-yloxypyrazine is sourced from PubChem (CID 58523692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).