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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Related Compounds

N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292678
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylbutanimidamide
CID 106837005
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-(2,6-dimethylpiperidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 113270747
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76921685
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471

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).