4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C15H21F3IN3 — CID 110919533

IUPAC4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2cccc(C(F)(F)F)c2)CC1.I
InChIInChI=1S/C15H20F3N3.HI/c1-11-5-7-21(8-6-11)14(19)20-10-12-3-2-4-13(9-12)15(16,17)18;/h2-4,9,11H,5-8,10H2,1H3,(H2,19,20);1H
InChIKeyVGWORXNLMPJMOW-UHFFFAOYSA-N
MW427.25 g/mol
LogP3.87
Rot. Bonds2

About 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110919533) has the molecular formula C15H21F3IN3 and a molecular weight of 427.25 g/mol. Its IUPAC name is 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110919533
Molecular FormulaC15H21F3IN3
Molecular Weight427.25 g/mol
Exact Mass427.07
IUPAC Name4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2cccc(C(F)(F)F)c2)CC1.I
InChIInChI=1S/C15H20F3N3.HI/c1-11-5-7-21(8-6-11)14(19)20-10-12-3-2-4-13(9-12)15(16,17)18;/h2-4,9,11H,5-8,10H2,1H3,(H2,19,20);1H
InChIKeyVGWORXNLMPJMOW-UHFFFAOYSA-N
XLogP3.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.87
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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Related Compounds

N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026746
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
4-methyl-N'-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-1-carboximidamide;hydroiodide
CID 111465931
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
N'-[N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 71513003
N'-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919919
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920412
3-methyl-N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048077
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920413
N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
CID 110919465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 110919533) is 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/Cc2cccc(C(F)(F)F)c2)CC1.I.
What is the InChIKey of 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VGWORXNLMPJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3.HI/c1-11-5-7-21(8-6-11)14(19)20-10-12-3-2-4-13(9-12)15(16,17)18;/h2-4,9,11H,5-8,10H2,1H3,(H2,19,20);1H.
What are the key properties of 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 427.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110919533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).