1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine

C13H17N3 — CID 96611470

IUPAC1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine
SMILESCc1nccn2c(C3CCNCC3)ccc12
InChIInChI=1S/C13H17N3/c1-10-12-2-3-13(16(12)9-8-15-10)11-4-6-14-7-5-11/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyVXTUSNMNXYYLLX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds1

About 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine

1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine (PubChem CID 96611470) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine
PubChem CID96611470
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine
SMILESCc1nccn2c(C3CCNCC3)ccc12
InChIInChI=1S/C13H17N3/c1-10-12-2-3-13(16(12)9-8-15-10)11-4-6-14-7-5-11/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyVXTUSNMNXYYLLX-UHFFFAOYSA-N
XLogP2.11
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine (CID 96611470) is 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine is Cc1nccn2c(C3CCNCC3)ccc12.
What is the InChIKey of 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine?
The InChIKey is VXTUSNMNXYYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-12-2-3-13(16(12)9-8-15-10)11-4-6-14-7-5-11/h2-3,8-9,11,14H,4-7H2,1H3.
What are the key properties of 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine?
1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine has a molecular weight of 215.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 96611470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).