4-ethoxy-N'-hydroxypiperidine-1-carboximidamide

C8H17N3O2 — CID 62481285

IUPAC4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H17N3O2/c1-2-13-7-3-5-11(6-4-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyHRFIZDJMGMJBSV-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.19
Rot. Bonds2

About 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide

4-ethoxy-N'-hydroxypiperidine-1-carboximidamide (PubChem CID 62481285) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
PubChem CID62481285
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H17N3O2/c1-2-13-7-3-5-11(6-4-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyHRFIZDJMGMJBSV-UHFFFAOYSA-N
XLogP0.19
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.19
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'}, {'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-ethoxy-N'-hydroxypiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide (CID 62481285) is 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide is CCOC1CCN(/C(N)=N/O)CC1.
What is the InChIKey of 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide?
The InChIKey is HRFIZDJMGMJBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-13-7-3-5-11(6-4-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide?
4-ethoxy-N'-hydroxypiperidine-1-carboximidamide has a molecular weight of 187.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 62481285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).