4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide

C11H23N3O2 — CID 61218429

IUPAC4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
SMILESCCOC1CCN(CCCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-16-10-5-8-14(9-6-10)7-3-4-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyZFHBUDNTBTXOJB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds6

About 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide

4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide (PubChem CID 61218429) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
PubChem CID61218429
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
SMILESCCOC1CCN(CCCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-16-10-5-8-14(9-6-10)7-3-4-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyZFHBUDNTBTXOJB-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide (CID 61218429) is 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide is CCOC1CCN(CCCC(N)=NO)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is ZFHBUDNTBTXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-16-10-5-8-14(9-6-10)7-3-4-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide?
4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 61218429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).