4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O2 — CID 24699037

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(Cc2ccc(/C(N)=N/O)cc2F)CC(C)O1
InChIInChI=1S/C14H20FN3O2/c1-9-6-18(7-10(2)20-9)8-12-4-3-11(5-13(12)15)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyNBYKDBXAQCDRQG-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.53
Rot. Bonds3

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 24699037) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID24699037
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(Cc2ccc(/C(N)=N/O)cc2F)CC(C)O1
InChIInChI=1S/C14H20FN3O2/c1-9-6-18(7-10(2)20-9)8-12-4-3-11(5-13(12)15)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyNBYKDBXAQCDRQG-UHFFFAOYSA-N
XLogP1.53
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.53
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 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 24699037) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is CC1CN(Cc2ccc(/C(N)=N/O)cc2F)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is NBYKDBXAQCDRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9-6-18(7-10(2)20-9)8-12-4-3-11(5-13(12)15)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24699037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).