N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide

C9H14F3N3O2 — CID 77041541

IUPACN'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)4-7(16)15-3-1-2-6(5-15)8(13)14-17/h6,17H,1-5H2,(H2,13,14)
InChIKeyPPQRBUJIBUDOBD-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.92
Rot. Bonds2

About N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide

N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide (PubChem CID 77041541) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide
PubChem CID77041541
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC NameN'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)4-7(16)15-3-1-2-6(5-15)8(13)14-17/h6,17H,1-5H2,(H2,13,14)
InChIKeyPPQRBUJIBUDOBD-UHFFFAOYSA-N
XLogP0.92
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide (CID 77041541) is N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide?
The InChIKey is PPQRBUJIBUDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c10-9(11,12)4-7(16)15-3-1-2-6(5-15)8(13)14-17/h6,17H,1-5H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide has a molecular weight of 253.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).