2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

C13H17F3N4O — CID 81096071

IUPAC2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H17F3N4O/c1-12(21)4-6-20(7-5-12)11-8(10(17)18)2-3-9(19-11)13(14,15)16/h2-3,21H,4-7H2,1H3,(H3,17,18)
InChIKeyZFFRFUBOCPGUCW-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.74
Rot. Bonds2

About 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 81096071) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID81096071
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H17F3N4O/c1-12(21)4-6-20(7-5-12)11-8(10(17)18)2-3-9(19-11)13(14,15)16/h2-3,21H,4-7H2,1H3,(H3,17,18)
InChIKeyZFFRFUBOCPGUCW-UHFFFAOYSA-N
XLogP1.74
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 81096071) is 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N1CCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is ZFFRFUBOCPGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-12(21)4-6-20(7-5-12)11-8(10(17)18)2-3-9(19-11)13(14,15)16/h2-3,21H,4-7H2,1H3,(H3,17,18).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 302.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 81096071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).