2-(4-tert-butylpiperidin-1-yl)pyrazine

C13H21N3 — CID 58395017

IUPAC2-(4-tert-butylpiperidin-1-yl)pyrazine
SMILESCC(C)(C)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H21N3/c1-13(2,3)11-4-8-16(9-5-11)12-10-14-6-7-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeySWRAGGCVDYTNDD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds1

About 2-(4-tert-butylpiperidin-1-yl)pyrazine

2-(4-tert-butylpiperidin-1-yl)pyrazine (PubChem CID 58395017) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)pyrazine
PubChem CID58395017
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-tert-butylpiperidin-1-yl)pyrazine
SMILESCC(C)(C)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H21N3/c1-13(2,3)11-4-8-16(9-5-11)12-10-14-6-7-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeySWRAGGCVDYTNDD-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)pyrazine (CID 58395017) is 2-(4-tert-butylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)pyrazine is CC(C)(C)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)pyrazine?
The InChIKey is SWRAGGCVDYTNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)11-4-8-16(9-5-11)12-10-14-6-7-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)pyrazine?
2-(4-tert-butylpiperidin-1-yl)pyrazine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 58395017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).