N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide

C10H19F3N4O2 — CID 77011914

IUPACN'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CCOCC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H19F3N4O2/c11-10(12,13)8-19-6-5-16-1-3-17(4-2-16)7-9(14)15-18/h18H,1-8H2,(H2,14,15)
InChIKeyDSXGNGVSKPQCDV-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.07
Rot. Bonds6

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

N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide (PubChem CID 77011914) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide
PubChem CID77011914
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC NameN'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CCOCC(F)(F)F)CC1)=NO
InChIInChI=1S/C10H19F3N4O2/c11-10(12,13)8-19-6-5-16-1-3-17(4-2-16)7-9(14)15-18/h18H,1-8H2,(H2,14,15)
InChIKeyDSXGNGVSKPQCDV-UHFFFAOYSA-N
XLogP-0.07
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide (CID 77011914) is N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide is NC(CN1CCN(CCOCC(F)(F)F)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide?
The InChIKey is DSXGNGVSKPQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c11-10(12,13)8-19-6-5-16-1-3-17(4-2-16)7-9(14)15-18/h18H,1-8H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide has a molecular weight of 284.28 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).