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

C10H18F3N3O2 — CID 103370259

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
SMILESCOC1CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2/c1-18-7-3-2-4-16(5-7)6-8(9(14)15-17)10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15)
InChIKeyHXKFIXADNLAQQP-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.02
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide (PubChem CID 103370259) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
PubChem CID103370259
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide
SMILESCOC1CCCN(CC(C(N)=NO)C(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2/c1-18-7-3-2-4-16(5-7)6-8(9(14)15-17)10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15)
InChIKeyHXKFIXADNLAQQP-UHFFFAOYSA-N
XLogP1.02
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.02
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboximidamide
CID 77039063
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-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369210
2-[(2,5-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369258
2-[(2-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369259
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270
2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369282
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369302
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-2-ylmethyl)amino]methyl]propanimidamide
CID 103369307
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide (CID 103370259) is 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide is COC1CCCN(CC(C(N)=NO)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide?
The InChIKey is HXKFIXADNLAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-18-7-3-2-4-16(5-7)6-8(9(14)15-17)10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypiperidin-1-yl)methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 1.02, 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-methoxypiperidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).