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

C10H18F3N3O2 — CID 103369285

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)15-18)5-16-4-2-1-3-7(16)6-17/h7-8,17-18H,1-6H2,(H2,14,15)
InChIKeyODCMXGPYEUGMMI-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.76
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 103369285) 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-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID103369285
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)15-18)5-16-4-2-1-3-7(16)6-17/h7-8,17-18H,1-6H2,(H2,14,15)
InChIKeyODCMXGPYEUGMMI-UHFFFAOYSA-N
XLogP0.76
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369229
3,3,3-trifluoro-N'-hydroxy-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369286
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369342
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclohexyl)amino]methyl]propanimidamide
CID 103369700
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370223
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxycyclohexyl)-methylamino]methyl]propanimidamide
CID 103370246
3,3,3-trifluoro-N'-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227566
3,3,3-Trifluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808114
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808129
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43367938

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide (CID 103369285) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide is NC(=NO)C(CN1CCCCC1CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is ODCMXGPYEUGMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)8(9(14)15-18)5-16-4-2-1-3-7(16)6-17/h7-8,17-18H,1-6H2,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 103369285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).