2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine

C16H26N4 — CID 170687922

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine
SMILESCC(C)N1CCC(c2cncc(N3CCCC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)19-9-5-14(6-10-19)15-11-17-12-16(18-15)20-7-3-4-8-20/h11-14H,3-10H2,1-2H3
InChIKeyXEKAJARCDYWYKU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine

2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine (PubChem CID 170687922) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine
PubChem CID170687922
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine
SMILESCC(C)N1CCC(c2cncc(N3CCCC3)n2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)19-9-5-14(6-10-19)15-11-17-12-16(18-15)20-7-3-4-8-20/h11-14H,3-10H2,1-2H3
InChIKeyXEKAJARCDYWYKU-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine (CID 170687922) is 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine is CC(C)N1CCC(c2cncc(N3CCCC3)n2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine?
The InChIKey is XEKAJARCDYWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(2)19-9-5-14(6-10-19)15-11-17-12-16(18-15)20-7-3-4-8-20/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine?
2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 170687922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).