2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3O — CID 43372984

IUPAC2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CCC(OC)CC1
InChIInChI=1S/C14H18F3N3O/c1-21-10-4-6-20(7-5-10)12-3-2-9(14(15,16)17)8-11(12)13(18)19/h2-3,8,10H,4-7H2,1H3,(H3,18,19)
InChIKeyXYCGWECOKKQPQX-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide

2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43372984) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43372984
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CCC(OC)CC1
InChIInChI=1S/C14H18F3N3O/c1-21-10-4-6-20(7-5-10)12-3-2-9(14(15,16)17)8-11(12)13(18)19/h2-3,8,10H,4-7H2,1H3,(H3,18,19)
InChIKeyXYCGWECOKKQPQX-UHFFFAOYSA-N
XLogP2.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)benzenecarboximidamide
CID 43584579
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
2-(4,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide
CID 62932311
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81054462

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide (CID 43372984) is 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is XYCGWECOKKQPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-21-10-4-6-20(7-5-10)12-3-2-9(14(15,16)17)8-11(12)13(18)19/h2-3,8,10H,4-7H2,1H3,(H3,18,19).
What are the key properties of 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide?
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 301.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43372984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).