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

C11H20F3N3O2 — CID 103369229

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCCCC1CCO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)16-19)7-17-5-2-1-3-8(17)4-6-18/h8-9,18-19H,1-7H2,(H2,15,16)
InChIKeyNBDDHPKWWXYGGE-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.15
Rot. Bonds5

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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 103369229) 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-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID103369229
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCCCC1CCO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)16-19)7-17-5-2-1-3-8(17)4-6-18/h8-9,18-19H,1-7H2,(H2,15,16)
InChIKeyNBDDHPKWWXYGGE-UHFFFAOYSA-N
XLogP1.15
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.15
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-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

3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369227
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369285
3,3,3-trifluoro-N'-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103369396
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanimidamide
CID 103369439
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370223
3,3,3-trifluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanimidamide
CID 106361742
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-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanimidamide
CID 24695208
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24701879

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide (CID 103369229) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide is NC(=NO)C(CN1CCCCC1CCO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is NBDDHPKWWXYGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)9(10(15)16-19)7-17-5-2-1-3-8(17)4-6-18/h8-9,18-19H,1-7H2,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.15, 5 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-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 103369229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).