4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide

C10H20FN3O — CID 155397803

IUPAC4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide
SMILESCCCN1CCC(C)(F)C(/C(N)=N/O)C1
InChIInChI=1S/C10H20FN3O/c1-3-5-14-6-4-10(2,11)8(7-14)9(12)13-15/h8,15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyPODYOAYGJOFELH-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.19
Rot. Bonds3

About 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide

4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide (PubChem CID 155397803) has the molecular formula C10H20FN3O and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide
PubChem CID155397803
Molecular FormulaC10H20FN3O
Molecular Weight217.29 g/mol
Exact Mass217.16
IUPAC Name4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide
SMILESCCCN1CCC(C)(F)C(/C(N)=N/O)C1
InChIInChI=1S/C10H20FN3O/c1-3-5-14-6-4-10(2,11)8(7-14)9(12)13-15/h8,15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyPODYOAYGJOFELH-UHFFFAOYSA-N
XLogP1.19
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.19
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-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide?
The IUPAC name of 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide (CID 155397803) is 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide.
What is the SMILES notation for 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide?
The canonical SMILES for 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide is CCCN1CCC(C)(F)C(/C(N)=N/O)C1.
What is the InChIKey of 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide?
The InChIKey is PODYOAYGJOFELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3O/c1-3-5-14-6-4-10(2,11)8(7-14)9(12)13-15/h8,15H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide?
4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide has a molecular weight of 217.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide is sourced from PubChem (CID 155397803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).