2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O — CID 79520284

IUPAC2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CCC(C)N(c2cccc(F)c2C(N)=NO)C1
InChIInChI=1S/C14H20FN3O/c1-9-6-7-10(2)18(8-9)12-5-3-4-11(15)13(12)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyAYGMDGWTRKHGQR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.55
Rot. Bonds2

About 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide

2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 79520284) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID79520284
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CCC(C)N(c2cccc(F)c2C(N)=NO)C1
InChIInChI=1S/C14H20FN3O/c1-9-6-7-10(2)18(8-9)12-5-3-4-11(15)13(12)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyAYGMDGWTRKHGQR-UHFFFAOYSA-N
XLogP2.55
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.55
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 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 79520284) is 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide is CC1CCC(C)N(c2cccc(F)c2C(N)=NO)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is AYGMDGWTRKHGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9-6-7-10(2)18(8-9)12-5-3-4-11(15)13(12)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17).
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79520284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).