N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide

C9H15F3N4O2 — CID 55202917

IUPACN'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide
SMILESN/C(CN1CCN(C(=O)CC(F)(F)F)CC1)=N\O
InChIInChI=1S/C9H15F3N4O2/c10-9(11,12)5-8(17)16-3-1-15(2-4-16)6-7(13)14-18/h18H,1-6H2,(H2,13,14)
InChIKeyGDXODNHECDNDDE-UHFFFAOYSA-N
MW268.24 g/mol
LogP-0.17
Rot. Bonds3

About N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide (PubChem CID 55202917) has the molecular formula C9H15F3N4O2 and a molecular weight of 268.24 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide
PubChem CID55202917
Molecular FormulaC9H15F3N4O2
Molecular Weight268.24 g/mol
Exact Mass268.11
IUPAC NameN'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide
SMILESN/C(CN1CCN(C(=O)CC(F)(F)F)CC1)=N\O
InChIInChI=1S/C9H15F3N4O2/c10-9(11,12)5-8(17)16-3-1-15(2-4-16)6-7(13)14-18/h18H,1-6H2,(H2,13,14)
InChIKeyGDXODNHECDNDDE-UHFFFAOYSA-N
XLogP-0.17
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-0.17
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-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide (CID 55202917) is N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide is N/C(CN1CCN(C(=O)CC(F)(F)F)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide?
The InChIKey is GDXODNHECDNDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2/c10-9(11,12)5-8(17)16-3-1-15(2-4-16)6-7(13)14-18/h18H,1-6H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide has a molecular weight of 268.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 55202917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).