3-(4-ethoxypiperidin-1-yl)butanimidamide

C11H23N3O — CID 61219384

IUPAC3-(4-ethoxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(OCC)CC1
InChIInChI=1S/C11H23N3O/c1-3-15-10-4-6-14(7-5-10)9(2)8-11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyJSPSMGHWLICVOU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.20
Rot. Bonds5

About 3-(4-ethoxypiperidin-1-yl)butanimidamide

3-(4-ethoxypiperidin-1-yl)butanimidamide (PubChem CID 61219384) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)butanimidamide
PubChem CID61219384
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(4-ethoxypiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCC(OCC)CC1
InChIInChI=1S/C11H23N3O/c1-3-15-10-4-6-14(7-5-10)9(2)8-11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyJSPSMGHWLICVOU-UHFFFAOYSA-N
XLogP1.20
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.20
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 3-(4-ethoxypiperidin-1-yl)butanimidamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)butanimidamide (CID 61219384) is 3-(4-ethoxypiperidin-1-yl)butanimidamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)butanimidamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCC(OCC)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)butanimidamide?
The InChIKey is JSPSMGHWLICVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-15-10-4-6-14(7-5-10)9(2)8-11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)butanimidamide?
3-(4-ethoxypiperidin-1-yl)butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)butanimidamide is sourced from PubChem (CID 61219384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).