4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C15H22FN3O — CID 24709951

IUPAC4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CCCC(C)N1Cc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-13-7-6-12(8-14(13)16)15(17)18-20/h6-8,10-11,20H,3-5,9H2,1-2H3,(H2,17,18)
InChIKeyKGWNBEZCSXZPSR-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds3

About 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 24709951) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID24709951
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CCCC(C)N1Cc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-13-7-6-12(8-14(13)16)15(17)18-20/h6-8,10-11,20H,3-5,9H2,1-2H3,(H2,17,18)
InChIKeyKGWNBEZCSXZPSR-UHFFFAOYSA-N
XLogP2.68
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
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'}

Analyze 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 24709951) is 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is CC1CCCC(C)N1Cc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is KGWNBEZCSXZPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-13-7-6-12(8-14(13)16)15(17)18-20/h6-8,10-11,20H,3-5,9H2,1-2H3,(H2,17,18).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 279.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24709951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).