4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C15H20F3N3 — CID 43138678

IUPAC4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-9-5-10(2)8-21(7-9)11-3-4-12(14(19)20)13(6-11)15(16,17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,19,20)
InChIKeyPCZOILRSBXGAGZ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.47
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43138678) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43138678
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-9-5-10(2)8-21(7-9)11-3-4-12(14(19)20)13(6-11)15(16,17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,19,20)
InChIKeyPCZOILRSBXGAGZ-UHFFFAOYSA-N
XLogP3.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43138678) is 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)CC(C)C2)cc1C(F)(F)F.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is PCZOILRSBXGAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-9-5-10(2)8-21(7-9)11-3-4-12(14(19)20)13(6-11)15(16,17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,19,20).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 299.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43138678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).