N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide

C10H18F3N3O2 — CID 77036098

IUPACN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-6-5-16-4-2-1-3-8(16)9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyWQBJTPQKPXAXDX-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.17
Rot. Bonds5

About N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide

N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide (PubChem CID 77036098) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide
PubChem CID77036098
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CCOCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-6-5-16-4-2-1-3-8(16)9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyWQBJTPQKPXAXDX-UHFFFAOYSA-N
XLogP1.17
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide (CID 77036098) is N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide is NC(=NO)C1CCCCN1CCOCC(F)(F)F.
What is the InChIKey of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide?
The InChIKey is WQBJTPQKPXAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-6-5-16-4-2-1-3-8(16)9(14)15-17/h8,17H,1-7H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide?
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide has a molecular weight of 269.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboximidamide is sourced from PubChem (CID 77036098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).