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

C11H20F3N3O2 — CID 107392856

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide
SMILESCOC1(C)CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O2/c1-10(19-2)4-3-5-17(7-10)6-8(9(15)16-18)11(12,13)14/h8,18H,3-7H2,1-2H3,(H2,15,16)
InChIKeyFQXUYKDOUJUWAL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide (PubChem CID 107392856) 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-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide
PubChem CID107392856
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide
SMILESCOC1(C)CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O2/c1-10(19-2)4-3-5-17(7-10)6-8(9(15)16-18)11(12,13)14/h8,18H,3-7H2,1-2H3,(H2,15,16)
InChIKeyFQXUYKDOUJUWAL-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.41
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-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboximidamide
CID 77041682
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-3-carboximidamide
CID 77100320
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
CID 77100321
3,3,3-trifluoro-N'-hydroxy-2-[(3-propoxypiperidin-1-yl)methyl]propanimidamide
CID 103369337
2-[(3-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369338
3,3,3-trifluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369444
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370216
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]propanimidamide
CID 103370249
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370258
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
CID 103370259
3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370832
3,3,3-Trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370848

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide (CID 107392856) is 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide is COC1(C)CCCN(CC(C(N)=NO)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide?
The InChIKey is FQXUYKDOUJUWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-10(19-2)4-3-5-17(7-10)6-8(9(15)16-18)11(12,13)14/h8,18H,3-7H2,1-2H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.41, 4 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-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 107392856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).