4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

C13H16F3N3O — CID 43320922

IUPAC4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-7-8(1-2-10(11)12(17)18)19-5-3-9(20)4-6-19/h1-2,7,9,20H,3-6H2,(H3,17,18)
InChIKeyGLCKAQXITDJFJG-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.95
Rot. Bonds2

About 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide

4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43320922) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43320922
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-7-8(1-2-10(11)12(17)18)19-5-3-9(20)4-6-19/h1-2,7,9,20H,3-6H2,(H3,17,18)
InChIKeyGLCKAQXITDJFJG-UHFFFAOYSA-N
XLogP1.95
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide (CID 43320922) is 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(O)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is GLCKAQXITDJFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11-7-8(1-2-10(11)12(17)18)19-5-3-9(20)4-6-19/h1-2,7,9,20H,3-6H2,(H3,17,18).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide?
4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 287.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43320922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).