1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide

C8H15F2N3O — CID 77038743

IUPAC1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CC(F)F)CC1
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-13-3-1-6(2-4-13)8(11)12-14/h6-7,14H,1-5H2,(H2,11,12)
InChIKeyZFOHPFTYHJZPHE-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.71
Rot. Bonds3

About 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide

1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77038743) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77038743
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CC(F)F)CC1
InChIInChI=1S/C8H15F2N3O/c9-7(10)5-13-3-1-6(2-4-13)8(11)12-14/h6-7,14H,1-5H2,(H2,11,12)
InChIKeyZFOHPFTYHJZPHE-UHFFFAOYSA-N
XLogP0.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.71
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 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide (CID 77038743) is 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is ZFOHPFTYHJZPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c9-7(10)5-13-3-1-6(2-4-13)8(11)12-14/h6-7,14H,1-5H2,(H2,11,12).
What are the key properties of 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 207.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77038743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).