2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid

C9H22N4O4S — CID 57348317

IUPAC2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid
SMILESCC1CCCCN1CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C9H20N4.H2O4S/c1-8-4-2-3-6-13(8)7-5-12-9(10)11;1-5(2,3)4/h8H,2-7H2,1H3,(H4,10,11,12);(H2,1,2,3,4)
InChIKeyYYZMUSSNXUGWSR-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.52
Rot. Bonds3

About 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid

2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid (PubChem CID 57348317) has the molecular formula C9H22N4O4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid
PubChem CID57348317
Molecular FormulaC9H22N4O4S
Molecular Weight282.37 g/mol
Exact Mass282.14
IUPAC Name2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid
SMILESCC1CCCCN1CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C9H20N4.H2O4S/c1-8-4-2-3-6-13(8)7-5-12-9(10)11;1-5(2,3)4/h8H,2-7H2,1H3,(H4,10,11,12);(H2,1,2,3,4)
InChIKeyYYZMUSSNXUGWSR-UHFFFAOYSA-N
XLogP-0.52
TPSA142.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid (CID 57348317) is 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid is CC1CCCCN1CCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
The InChIKey is YYZMUSSNXUGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4.H2O4S/c1-8-4-2-3-6-13(8)7-5-12-9(10)11;1-5(2,3)4/h8H,2-7H2,1H3,(H4,10,11,12);(H2,1,2,3,4).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid?
2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid has a molecular weight of 282.37 g/mol, XLogP of -0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;sulfuric acid is sourced from PubChem (CID 57348317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).