2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide

C15H20F3N3 — CID 43584579

IUPAC2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CCCC(CC)C1
InChIInChI=1S/C15H20F3N3/c1-2-10-4-3-7-21(9-10)13-6-5-11(15(16,17)18)8-12(13)14(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H3,19,20)
InChIKeyFQUUZXIYESJNSI-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide

2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43584579) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43584579
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CCCC(CC)C1
InChIInChI=1S/C15H20F3N3/c1-2-10-4-3-7-21(9-10)13-6-5-11(15(16,17)18)8-12(13)14(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H3,19,20)
InChIKeyFQUUZXIYESJNSI-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

2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 63514146
4-(3-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43584574
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
CID 63668655
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
2-[1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227070
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylbenzenecarboximidamide
CID 107930498
2-(3-ethylpiperidin-1-yl)-4-methoxybenzenecarbothioamide
CID 81305566
5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 55078907

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide (CID 43584579) is 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CCCC(CC)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FQUUZXIYESJNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-2-10-4-3-7-21(9-10)13-6-5-11(15(16,17)18)8-12(13)14(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H3,19,20).
What are the key properties of 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
2-(3-ethylpiperidin-1-yl)-5-(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 2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43584579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).