N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide

C7H12F3N3O — CID 87695689

IUPACN'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESN/C(=N\O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)5-1-3-13(4-2-5)6(11)12-14/h5,14H,1-4H2,(H2,11,12)
InChIKeyJJANRTQVQBAUAS-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.96
Rot. Bonds

About N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide

N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 87695689) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID87695689
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC NameN'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide
SMILESN/C(=N\O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)5-1-3-13(4-2-5)6(11)12-14/h5,14H,1-4H2,(H2,11,12)
InChIKeyJJANRTQVQBAUAS-UHFFFAOYSA-N
XLogP0.96
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

CID 73851558
CID 73851558
N'-hydroxy-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 77073202
3,3-difluoro-N'-hydroxypiperidine-1-carboximidamide
CID 166099586
CID 21864569
CID 21864569
3-(Trifluoromethyl)piperidine-1-carboximidamide hydrochloride
CID 60723760
4-(Trifluoromethyl)piperidine-1-carboximidamide
CID 65539232
N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 77073391
4-(Fluoromethyl)piperidine-1-carboximidamide
CID 121200933
4-(Difluoromethyl)piperidine-1-carboximidamide
CID 121201089
3-(Difluoromethyl)piperidine-1-carboximidamide
CID 121201123
4-(1,1-Difluoroethyl)piperidine-1-carboximidamide
CID 121202499
N'-amino-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 126972436

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide (CID 87695689) is N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide is N/C(=N\O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is JJANRTQVQBAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)5-1-3-13(4-2-5)6(11)12-14/h5,14H,1-4H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide?
N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 211.19 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 87695689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).