N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide

C8H14F3N3O2 — CID 121203316

IUPACN'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide
SMILESN/C(CN1CCC(O)(C(F)(F)F)CC1)=N\O
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)7(15)1-3-14(4-2-7)5-6(12)13-16/h15-16H,1-5H2,(H2,12,13)
InChIKeyZASRSTJSSDNHJC-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.12
Rot. Bonds2

About N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide

N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide (PubChem CID 121203316) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide
PubChem CID121203316
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide
SMILESN/C(CN1CCC(O)(C(F)(F)F)CC1)=N\O
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)7(15)1-3-14(4-2-7)5-6(12)13-16/h15-16H,1-5H2,(H2,12,13)
InChIKeyZASRSTJSSDNHJC-UHFFFAOYSA-N
XLogP0.12
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.12
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide (CID 121203316) is N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide is N/C(CN1CCC(O)(C(F)(F)F)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide?
The InChIKey is ZASRSTJSSDNHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)7(15)1-3-14(4-2-7)5-6(12)13-16/h15-16H,1-5H2,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide has a molecular weight of 241.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 121203316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).