3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide

C11H20F3N3O2 — CID 106587065

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILESCOCC1CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O2/c1-19-7-8-3-2-4-17(5-8)6-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyWBQMYTOSUQRXCL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.27
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 106587065) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID106587065
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILESCOCC1CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O2/c1-19-7-8-3-2-4-17(5-8)6-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16)
InChIKeyWBQMYTOSUQRXCL-UHFFFAOYSA-N
XLogP1.27
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.27
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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Related Compounds

N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 77039069
N'-hydroxy-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboximidamide
CID 77041740
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-3-carboximidamide
CID 77100320
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369282
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]propanimidamide
CID 103369437
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]propanimidamide
CID 103369438
3,3,3-trifluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369444
3,3,3-trifluoro-N'-hydroxy-2-[(oxan-3-ylmethylamino)methyl]propanimidamide
CID 103369750
3,3,3-Trifluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]propanimidamide
CID 103370747
3,3,3-Trifluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 106587141
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113807941

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide (CID 106587065) is 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide is COCC1CCCN(CC(C(N)=NO)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is WBQMYTOSUQRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-19-7-8-3-2-4-17(5-8)6-9(10(15)16-18)11(12,13)14/h8-9,18H,2-7H2,1H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 106587065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).