3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide

C14H20F2N4O — CID 81286510

IUPAC3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
SMILESCN1CCCC(N(C)c2c(F)cc(C(N)=NO)cc2F)C1
InChIInChI=1S/C14H20F2N4O/c1-19-5-3-4-10(8-19)20(2)13-11(15)6-9(7-12(13)16)14(17)18-21/h6-7,10,21H,3-5,8H2,1-2H3,(H2,17,18)
InChIKeyGNXHRQWJSPQPFB-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.59
Rot. Bonds3

About 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide

3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide (PubChem CID 81286510) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
PubChem CID81286510
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
SMILESCN1CCCC(N(C)c2c(F)cc(C(N)=NO)cc2F)C1
InChIInChI=1S/C14H20F2N4O/c1-19-5-3-4-10(8-19)20(2)13-11(15)6-9(7-12(13)16)14(17)18-21/h6-7,10,21H,3-5,8H2,1-2H3,(H2,17,18)
InChIKeyGNXHRQWJSPQPFB-UHFFFAOYSA-N
XLogP1.59
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide (CID 81286510) is 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide is CN1CCCC(N(C)c2c(F)cc(C(N)=NO)cc2F)C1.
What is the InChIKey of 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
The InChIKey is GNXHRQWJSPQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-19-5-3-4-10(8-19)20(2)13-11(15)6-9(7-12(13)16)14(17)18-21/h6-7,10,21H,3-5,8H2,1-2H3,(H2,17,18).
What are the key properties of 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide has a molecular weight of 298.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 81286510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).