3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide

C6H11F2N3O — CID 166099586

IUPAC3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide
SMILESNC(=NO)N1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N3O/c7-6(8)2-1-3-11(4-6)5(9)10-12/h12H,1-4H2,(H2,9,10)
InChIKeySJONDFZFBJUIEF-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.42
Rot. Bonds

About 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide

3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide (PubChem CID 166099586) has the molecular formula C6H11F2N3O and a molecular weight of 179.17 g/mol. Its IUPAC name is 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide
PubChem CID166099586
Molecular FormulaC6H11F2N3O
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Name3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide
SMILESNC(=NO)N1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N3O/c7-6(8)2-1-3-11(4-6)5(9)10-12/h12H,1-4H2,(H2,9,10)
InChIKeySJONDFZFBJUIEF-UHFFFAOYSA-N
XLogP0.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide?
The IUPAC name of 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide (CID 166099586) is 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide is NC(=NO)N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide?
The InChIKey is SJONDFZFBJUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O/c7-6(8)2-1-3-11(4-6)5(9)10-12/h12H,1-4H2,(H2,9,10).
What are the key properties of 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide?
3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide has a molecular weight of 179.17 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 166099586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).