2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate

C10H22N4O4S-2 — CID 20976384

IUPAC2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate
SMILESCC1CCCC(C)N1CCN=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/C10H22N4.H2O4S/c1-8-4-3-5-9(2)14(8)7-6-13-10(11)12;1-5(2,3)4/h8-9H,3-7H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)/p-2
InChIKeyOKGWDEKFXLLQOI-UHFFFAOYSA-L
MW294.38 g/mol
LogP-0.82
Rot. Bonds3

About 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate

2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate (PubChem CID 20976384) has the molecular formula C10H22N4O4S-2 and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate.

Molecular Properties

Compound Name2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate
PubChem CID20976384
Molecular FormulaC10H22N4O4S-2
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate
SMILESCC1CCCC(C)N1CCN=C(N)N.O=S(=O)([O-])[O-]
InChIInChI=1S/C10H22N4.H2O4S/c1-8-4-3-5-9(2)14(8)7-6-13-10(11)12;1-5(2,3)4/h8-9H,3-7H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)/p-2
InChIKeyOKGWDEKFXLLQOI-UHFFFAOYSA-L
XLogP-0.82
TPSA147.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate?
The IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate (CID 20976384) is 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate.
What is the SMILES notation for 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate?
The canonical SMILES for 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate is CC1CCCC(C)N1CCN=C(N)N.O=S(=O)([O-])[O-].
What is the InChIKey of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate?
The InChIKey is OKGWDEKFXLLQOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H22N4.H2O4S/c1-8-4-3-5-9(2)14(8)7-6-13-10(11)12;1-5(2,3)4/h8-9H,3-7H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)/p-2.
What are the key properties of 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate?
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate has a molecular weight of 294.38 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]guanidine sulfate is sourced from PubChem (CID 20976384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).