N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide

C10H19F3N4O2 — CID 77100302

IUPACN'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O2/c1-8(9(14)15-18)17-4-2-16(3-5-17)6-7-19-10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyAWFNEWKYPDTRNU-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.28
Rot. Bonds5

About N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide (PubChem CID 77100302) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide
PubChem CID77100302
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC NameN'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O2/c1-8(9(14)15-18)17-4-2-16(3-5-17)6-7-19-10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyAWFNEWKYPDTRNU-UHFFFAOYSA-N
XLogP0.28
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide (CID 77100302) is N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide?
The InChIKey is AWFNEWKYPDTRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-8(9(14)15-18)17-4-2-16(3-5-17)6-7-19-10(11,12)13/h8,18H,2-7H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide has a molecular weight of 284.28 g/mol, XLogP of 0.28, 5 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-(trifluoromethoxy)ethyl]piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77100302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).