N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide

C11H18F3N3O2 — CID 77073204

IUPACN'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
SMILESCCC(C(=O)N1CCC(C(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C11H18F3N3O2/c1-2-8(9(15)16-19)10(18)17-5-3-7(4-6-17)11(12,13)14/h7-8,19H,2-6H2,1H3,(H2,15,16)
InChIKeyMDVGTHUSMDRENX-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.56
Rot. Bonds3

About N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide

N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide (PubChem CID 77073204) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
PubChem CID77073204
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
SMILESCCC(C(=O)N1CCC(C(F)(F)F)CC1)C(N)=NO
InChIInChI=1S/C11H18F3N3O2/c1-2-8(9(15)16-19)10(18)17-5-3-7(4-6-17)11(12,13)14/h7-8,19H,2-6H2,1H3,(H2,15,16)
InChIKeyMDVGTHUSMDRENX-UHFFFAOYSA-N
XLogP1.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.56
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-(4-methylazepane-1-carbonyl)butanimidamide
CID 77002393
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
N'-hydroxy-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanimidamide
CID 76926596
(2S)-2-chloro-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 129494463
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-N'-hydroxybutanimidamide
CID 76986616
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 77073242
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
2-(2-ethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 76926378
2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76925085
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 113356030

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide (CID 77073204) is N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide is CCC(C(=O)N1CCC(C(F)(F)F)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
The InChIKey is MDVGTHUSMDRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-2-8(9(15)16-19)10(18)17-5-3-7(4-6-17)11(12,13)14/h7-8,19H,2-6H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide?
N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide has a molecular weight of 281.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide is sourced from PubChem (CID 77073204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).