2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide

C16H24FN2O3+ — CID 7436215

IUPAC2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-22-11-8-18-15(20)12-19-9-6-16(21,7-10-19)13-2-4-14(17)5-3-13/h2-5,21H,6-12H2,1H3,(H,18,20)/p+1
InChIKeyHJMSIIAPBLKCKL-UHFFFAOYSA-O
MW311.38 g/mol
LogP-0.55
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 7436215) has the molecular formula C16H24FN2O3+ and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID7436215
Molecular FormulaC16H24FN2O3+
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-22-11-8-18-15(20)12-19-9-6-16(21,7-10-19)13-2-4-14(17)5-3-13/h2-5,21H,6-12H2,1H3,(H,18,20)/p+1
InChIKeyHJMSIIAPBLKCKL-UHFFFAOYSA-O
XLogP-0.55
TPSA63.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide (CID 7436215) is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is HJMSIIAPBLKCKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23FN2O3/c1-22-11-8-18-15(20)12-19-9-6-16(21,7-10-19)13-2-4-14(17)5-3-13/h2-5,21H,6-12H2,1H3,(H,18,20)/p+1.
What are the key properties of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 7436215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).