4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

C13H15F4N3O — CID 58404402

IUPAC4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCC(F)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4N3O/c14-9-3-5-20(6-4-9)11-2-1-8(12(18)19-21)7-10(11)13(15,16)17/h1-2,7,9,21H,3-6H2,(H2,18,19)
InChIKeyZTHHMNBERZBGDQ-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.74
Rot. Bonds2

About 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 58404402) has the molecular formula C13H15F4N3O and a molecular weight of 305.28 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID58404402
Molecular FormulaC13H15F4N3O
Molecular Weight305.28 g/mol
Exact Mass305.12
IUPAC Name4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCC(F)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4N3O/c14-9-3-5-20(6-4-9)11-2-1-8(12(18)19-21)7-10(11)13(15,16)17/h1-2,7,9,21H,3-6H2,(H2,18,19)
InChIKeyZTHHMNBERZBGDQ-UHFFFAOYSA-N
XLogP2.74
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.74
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 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 58404402) is 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(N2CCC(F)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is ZTHHMNBERZBGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O/c14-9-3-5-20(6-4-9)11-2-1-8(12(18)19-21)7-10(11)13(15,16)17/h1-2,7,9,21H,3-6H2,(H2,18,19).
What are the key properties of 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 305.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 58404402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).