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

C10H16F3N3O3 — CID 103211614

IUPACN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-4-2-1-3-7(16)9(14)15-18/h7,18H,1-6H2,(H2,14,15)
InChIKeyQRQWZNNXNGDVEB-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.69
Rot. Bonds4

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

N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide (PubChem CID 103211614) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide
PubChem CID103211614
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC NameN'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-4-2-1-3-7(16)9(14)15-18/h7,18H,1-6H2,(H2,14,15)
InChIKeyQRQWZNNXNGDVEB-UHFFFAOYSA-N
XLogP0.69
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.69
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-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide (CID 103211614) is N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide is NC(=NO)C1CCCCN1C(=O)COCC(F)(F)F.
What is the InChIKey of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide?
The InChIKey is QRQWZNNXNGDVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-5-8(17)16-4-2-1-3-7(16)9(14)15-18/h7,18H,1-6H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide?
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide has a molecular weight of 283.25 g/mol, XLogP of 0.69, 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-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide is sourced from PubChem (CID 103211614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).