2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid

C10H17N3O4S — CID 17859

IUPAC2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid
SMILESCc1nccnc1N1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C10H15N3.H2O4S/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13;1-5(2,3)4/h5-6H,2-4,7-8H2,1H3;(H2,1,2,3,4)
InChIKeyGJXZNORUUOVBKP-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.12
Rot. Bonds1

About 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid

2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid (PubChem CID 17859) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid
PubChem CID17859
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid
SMILESCc1nccnc1N1CCCCC1.O=S(=O)(O)O
InChIInChI=1S/C10H15N3.H2O4S/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13;1-5(2,3)4/h5-6H,2-4,7-8H2,1H3;(H2,1,2,3,4)
InChIKeyGJXZNORUUOVBKP-UHFFFAOYSA-N
XLogP1.12
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid?
The IUPAC name of 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid (CID 17859) is 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid?
The canonical SMILES for 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid is Cc1nccnc1N1CCCCC1.O=S(=O)(O)O.
What is the InChIKey of 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid?
The InChIKey is GJXZNORUUOVBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.H2O4S/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13;1-5(2,3)4/h5-6H,2-4,7-8H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid?
2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid has a molecular weight of 275.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid is sourced from PubChem (CID 17859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).