2-(4-ethoxypiperidin-1-yl)ethanimidamide

C9H19N3O — CID 61219377

IUPAC2-(4-ethoxypiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(OCC)CC1
InChIInChI=1S/C9H19N3O/c1-2-13-8-3-5-12(6-4-8)7-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyLEHWUOSCGXQTJL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 2-(4-ethoxypiperidin-1-yl)ethanimidamide

2-(4-ethoxypiperidin-1-yl)ethanimidamide (PubChem CID 61219377) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)ethanimidamide
PubChem CID61219377
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(4-ethoxypiperidin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(OCC)CC1
InChIInChI=1S/C9H19N3O/c1-2-13-8-3-5-12(6-4-8)7-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyLEHWUOSCGXQTJL-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)ethanimidamide?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)ethanimidamide (CID 61219377) is 2-(4-ethoxypiperidin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)ethanimidamide?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCC(OCC)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)ethanimidamide?
The InChIKey is LEHWUOSCGXQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-13-8-3-5-12(6-4-8)7-9(10)11/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 2-(4-ethoxypiperidin-1-yl)ethanimidamide?
2-(4-ethoxypiperidin-1-yl)ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)ethanimidamide is sourced from PubChem (CID 61219377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).