3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide

C11H20F3N3O3 — CID 103370087

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCC(OCCO)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c12-11(13,14)9(10(15)16-19)7-17-3-1-8(2-4-17)20-6-5-18/h8-9,18-19H,1-7H2,(H2,15,16)
InChIKeyXEBWWGXWPIDJQY-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.38
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide (PubChem CID 103370087) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
PubChem CID103370087
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCC(OCCO)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c12-11(13,14)9(10(15)16-19)7-17-3-1-8(2-4-17)20-6-5-18/h8-9,18-19H,1-7H2,(H2,15,16)
InChIKeyXEBWWGXWPIDJQY-UHFFFAOYSA-N
XLogP0.38
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-carboximidamide
CID 77041740
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369227
2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369282
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370020
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370021
3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
CID 103370237
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370257
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370803
3,3,3-Trifluoro-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
CID 103370806
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113807941
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808083
3-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-methylpropanimidamide
CID 82695592

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide (CID 103370087) is 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide is NC(=NO)C(CN1CCC(OCCO)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is XEBWWGXWPIDJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c12-11(13,14)9(10(15)16-19)7-17-3-1-8(2-4-17)20-6-5-18/h8-9,18-19H,1-7H2,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 299.29 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 103370087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).