3-(trifluoromethyl)piperidine-1-carboximidamide

C7H12F3N3 — CID 60723760

IUPAC3-(trifluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3/c8-7(9,10)5-2-1-3-13(4-5)6(11)12/h5H,1-4H2,(H3,11,12)
InChIKeyXGGCHFFSXBLMKL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.15
Rot. Bonds

About 3-(trifluoromethyl)piperidine-1-carboximidamide

3-(trifluoromethyl)piperidine-1-carboximidamide (PubChem CID 60723760) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidine-1-carboximidamide
PubChem CID60723760
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC Name3-(trifluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3/c8-7(9,10)5-2-1-3-13(4-5)6(11)12/h5H,1-4H2,(H3,11,12)
InChIKeyXGGCHFFSXBLMKL-UHFFFAOYSA-N
XLogP1.15
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(trifluoromethyl)piperidine-1-carboximidamide (CID 60723760) is 3-(trifluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(trifluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(trifluoromethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)piperidine-1-carboximidamide?
The InChIKey is XGGCHFFSXBLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c8-7(9,10)5-2-1-3-13(4-5)6(11)12/h5H,1-4H2,(H3,11,12).
What are the key properties of 3-(trifluoromethyl)piperidine-1-carboximidamide?
3-(trifluoromethyl)piperidine-1-carboximidamide has a molecular weight of 195.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 60723760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).