N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide

C12H20F3N3O2 — CID 114293066

IUPACN'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
SMILESCCC(C)(C(=O)N1CCCC(C(F)(F)F)C1)C(N)=NO
InChIInChI=1S/C12H20F3N3O2/c1-3-11(2,9(16)17-20)10(19)18-6-4-5-8(7-18)12(13,14)15/h8,20H,3-7H2,1-2H3,(H2,16,17)
InChIKeyNQJTYOZYQYRESB-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.95
Rot. Bonds3

About N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide

N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide (PubChem CID 114293066) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
PubChem CID114293066
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC NameN'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
SMILESCCC(C)(C(=O)N1CCCC(C(F)(F)F)C1)C(N)=NO
InChIInChI=1S/C12H20F3N3O2/c1-3-11(2,9(16)17-20)10(19)18-6-4-5-8(7-18)12(13,14)15/h8,20H,3-7H2,1-2H3,(H2,16,17)
InChIKeyNQJTYOZYQYRESB-UHFFFAOYSA-N
XLogP1.95
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.95
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-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide (CID 114293066) is N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide is CCC(C)(C(=O)N1CCCC(C(F)(F)F)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
The InChIKey is NQJTYOZYQYRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-3-11(2,9(16)17-20)10(19)18-6-4-5-8(7-18)12(13,14)15/h8,20H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide has a molecular weight of 295.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide is sourced from PubChem (CID 114293066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).