N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C23H30FIN4O — CID 110984929

About N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984929) has the molecular formula C23H30FIN4O and a molecular weight of 524.42 g/mol. Its IUPAC name is N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
• PubChem CID: 110984929
• Molecular Formula: C23H30FIN4O
• Molecular Weight: 524.42 g/mol
• Exact Mass: 524.14
• IUPAC Name: N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2ccccc21.I
• InChI: InChI=1S/C23H29FN4O.HI/c1-2-25-23(28-14-9-18-5-3-4-6-21(18)28)26-16-17-7-8-22(20(24)15-17)27-12-10-19(29)11-13-27;/h3-8,15,19,29H,2,9-14,16H2,1H3,(H,25,26);1H
• InChIKey: ADRMMLIDWZIYBK-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 51.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.42
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984929) is N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2ccccc21.I.

What is the InChIKey of N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

The InChIKey is ADRMMLIDWZIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O.HI/c1-2-25-23(28-14-9-18-5-3-4-6-21(18)28)26-16-17-7-8-22(20(24)15-17)27-12-10-19(29)11-13-27;/h3-8,15,19,29H,2,9-14,16H2,1H3,(H,25,26);1H.

What are the key properties of N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?

N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 524.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).