N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide

C8H15F3N4 — CID 104882315

IUPACN-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N4/c1-13-7(14-12)15-4-2-3-6(5-15)8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyBSOYRADANYYXJM-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.71
Rot. Bonds

About N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide

N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 104882315) has the molecular formula C8H15F3N4 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID104882315
Molecular FormulaC8H15F3N4
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC NameN-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
SMILESC/N=C(\NN)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N4/c1-13-7(14-12)15-4-2-3-6(5-15)8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyBSOYRADANYYXJM-UHFFFAOYSA-N
XLogP0.71
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701
N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538272
N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538460
N-(diaminomethylidene)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 83035531
N-amino-N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104882318
N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887065
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-cyclohexyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887067
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-cyclopentyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887069

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide (CID 104882315) is N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide is C/N=C(\NN)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is BSOYRADANYYXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4/c1-13-7(14-12)15-4-2-3-6(5-15)8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide?
N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 224.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 104882315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).