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

C11H20F3N3O2 — CID 106836093

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
SMILESCC(O)C1CCN(CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-7(18)8-2-4-17(5-3-8)6-9(10(15)16-19)11(12,13)14/h7-9,18-19H,2-6H2,1H3,(H2,15,16)
InChIKeyLANWDYJHSMHRRK-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.00
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 106836093) 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-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID106836093
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
SMILESCC(O)C1CCN(CC(C(N)=NO)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-7(18)8-2-4-17(5-3-8)6-9(10(15)16-19)11(12,13)14/h7-9,18-19H,2-6H2,1H3,(H2,15,16)
InChIKeyLANWDYJHSMHRRK-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.00
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-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369227
3,3,3-trifluoro-N'-hydroxy-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309
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-[(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-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103370562
3,3,3-Trifluoro-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370633

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide (CID 106836093) is 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide is CC(O)C1CCN(CC(C(N)=NO)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is LANWDYJHSMHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-7(18)8-2-4-17(5-3-8)6-9(10(15)16-19)11(12,13)14/h7-9,18-19H,2-6H2,1H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.00, 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-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 106836093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).