N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide

C9H16F3N3O2 — CID 77100321

IUPACN'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)17-6-5-15-3-1-7(2-4-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyNASYJLNAHAFVOR-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.98
Rot. Bonds4

About N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide

N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide (PubChem CID 77100321) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
PubChem CID77100321
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC NameN'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)17-6-5-15-3-1-7(2-4-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyNASYJLNAHAFVOR-UHFFFAOYSA-N
XLogP0.98
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
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-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide (CID 77100321) is N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide is NC(=NO)C1CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
The InChIKey is NASYJLNAHAFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)17-6-5-15-3-1-7(2-4-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide has a molecular weight of 255.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carboximidamide is sourced from PubChem (CID 77100321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).