3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide

C15H27F3IN3 — CID 102559036

IUPAC3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2CCCCC2C(F)(F)F)C1.I
InChIInChI=1S/C15H26F3N3.HI/c1-11-5-4-8-21(10-11)14(19)20-9-12-6-2-3-7-13(12)15(16,17)18;/h11-13H,2-10H2,1H3,(H2,19,20);1H
InChIKeyWFUGDOOFJFZPAZ-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.02
Rot. Bonds2

About 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 102559036) has the molecular formula C15H27F3IN3 and a molecular weight of 433.30 g/mol. Its IUPAC name is 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID102559036
Molecular FormulaC15H27F3IN3
Molecular Weight433.30 g/mol
Exact Mass433.12
IUPAC Name3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CC2CCCCC2C(F)(F)F)C1.I
InChIInChI=1S/C15H26F3N3.HI/c1-11-5-4-8-21(10-11)14(19)20-9-12-6-2-3-7-13(12)15(16,17)18;/h11-13H,2-10H2,1H3,(H2,19,20);1H
InChIKeyWFUGDOOFJFZPAZ-UHFFFAOYSA-N
XLogP4.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 102559036) is 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CC2CCCCC2C(F)(F)F)C1.I.
What is the InChIKey of 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WFUGDOOFJFZPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3.HI/c1-11-5-4-8-21(10-11)14(19)20-9-12-6-2-3-7-13(12)15(16,17)18;/h11-13H,2-10H2,1H3,(H2,19,20);1H.
What are the key properties of 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 433.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 102559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).