N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide

C13H24F3N3O — CID 77073400

IUPACN'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
SMILESCC(C)(CCCN1CCCC(C(F)(F)F)C1)C(N)=NO
InChIInChI=1S/C13H24F3N3O/c1-12(2,11(17)18-20)6-4-8-19-7-3-5-10(9-19)13(14,15)16/h10,20H,3-9H2,1-2H3,(H2,17,18)
InChIKeyFFYMIUGURNPJHX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.81
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide (PubChem CID 77073400) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
PubChem CID77073400
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
SMILESCC(C)(CCCN1CCCC(C(F)(F)F)C1)C(N)=NO
InChIInChI=1S/C13H24F3N3O/c1-12(2,11(17)18-20)6-4-8-19-7-3-5-10(9-19)13(14,15)16/h10,20H,3-9H2,1-2H3,(H2,17,18)
InChIKeyFFYMIUGURNPJHX-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.81
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

5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide (CID 77073400) is N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide is CC(C)(CCCN1CCCC(C(F)(F)F)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is FFYMIUGURNPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-12(2,11(17)18-20)6-4-8-19-7-3-5-10(9-19)13(14,15)16/h10,20H,3-9H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 295.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide is sourced from PubChem (CID 77073400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).