4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C15H20F3N3 — CID 43584574

IUPAC4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(CC)C2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-2-10-4-3-7-21(9-10)11-5-6-12(14(19)20)13(8-11)15(16,17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H3,19,20)
InChIKeyURFZBHSLFZMOGV-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.62
Rot. Bonds3

About 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43584574) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43584574
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(CC)C2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-2-10-4-3-7-21(9-10)11-5-6-12(14(19)20)13(8-11)15(16,17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H3,19,20)
InChIKeyURFZBHSLFZMOGV-UHFFFAOYSA-N
XLogP3.62
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.62
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'}

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Related Compounds

4-(4-methylazepan-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 63624277
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43584579
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
4-[2-(hydroxymethyl)morpholin-4-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 81195077
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 103356345
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarboximidamide
CID 102781481
4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62330156
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
4-(3-ethylpiperidin-1-yl)-2-methylbenzoic acid
CID 62135276
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43584574) is 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCC(CC)C2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is URFZBHSLFZMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-2-10-4-3-7-21(9-10)11-5-6-12(14(19)20)13(8-11)15(16,17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H3,19,20).
What are the key properties of 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 299.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43584574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).