2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine

C14H21N3 — CID 54124043

IUPAC2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
SMILESC1=CC2=CN(CCC3CCNCC3)C=CN2C1
InChIInChI=1S/C14H21N3/c1-2-14-12-16(10-11-17(14)8-1)9-5-13-3-6-15-7-4-13/h1-2,10-13,15H,3-9H2
InChIKeyNPSIREQZVBUXCA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.88
Rot. Bonds3

About 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine

2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine (PubChem CID 54124043) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
PubChem CID54124043
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
SMILESC1=CC2=CN(CCC3CCNCC3)C=CN2C1
InChIInChI=1S/C14H21N3/c1-2-14-12-16(10-11-17(14)8-1)9-5-13-3-6-15-7-4-13/h1-2,10-13,15H,3-9H2
InChIKeyNPSIREQZVBUXCA-UHFFFAOYSA-N
XLogP1.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine (CID 54124043) is 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine is C1=CC2=CN(CCC3CCNCC3)C=CN2C1.
What is the InChIKey of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
The InChIKey is NPSIREQZVBUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-14-12-16(10-11-17(14)8-1)9-5-13-3-6-15-7-4-13/h1-2,10-13,15H,3-9H2.
What are the key properties of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine has a molecular weight of 231.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 54124043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).