4-ethyl-N'-hydroxypiperidine-1-carboximidamide

C8H17N3O — CID 62481694

IUPAC4-ethyl-N'-hydroxypiperidine-1-carboximidamide
SMILESCCC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H17N3O/c1-2-7-3-5-11(6-4-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBJVOLPXOVYABIB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.81
Rot. Bonds1

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

4-ethyl-N'-hydroxypiperidine-1-carboximidamide (PubChem CID 62481694) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethyl-N'-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-hydroxypiperidine-1-carboximidamide
PubChem CID62481694
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-ethyl-N'-hydroxypiperidine-1-carboximidamide
SMILESCCC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H17N3O/c1-2-7-3-5-11(6-4-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyBJVOLPXOVYABIB-UHFFFAOYSA-N
XLogP0.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

CID 73851558
CID 73851558
N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 87695689
CID 21864569
CID 21864569
4-(difluoromethyl)-N'-hydroxypiperidine-1-carboximidamide
CID 133665608
4-tert-butyl-N'-hydroxypiperidine-1-carboximidamide
CID 20718024
4-Propan-2-ylpiperidine-1-carboximidamide
CID 21018809
3-Ethylpiperidine-1-carboximidamide
CID 43584617
4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 54304139
N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide
CID 54410657
4-Ethylpiperidine-1-carboximidamide
CID 57046741
4-Propylpiperidine-1-carboximidamide
CID 57171494
N',4-dimethylpiperidine-1-carboximidamide
CID 62358405

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-hydroxypiperidine-1-carboximidamide?
The IUPAC name of 4-ethyl-N'-hydroxypiperidine-1-carboximidamide (CID 62481694) is 4-ethyl-N'-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for 4-ethyl-N'-hydroxypiperidine-1-carboximidamide is CCC1CCN(/C(N)=N/O)CC1.
What is the InChIKey of 4-ethyl-N'-hydroxypiperidine-1-carboximidamide?
The InChIKey is BJVOLPXOVYABIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-7-3-5-11(6-4-7)8(9)10-12/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 4-ethyl-N'-hydroxypiperidine-1-carboximidamide?
4-ethyl-N'-hydroxypiperidine-1-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 62481694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).