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

C16H23FN2O3 — CID 3228802

IUPAC2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(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)
InChIKeyHJMSIIAPBLKCKL-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.87
Rot. Bonds6

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

2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 3228802) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID3228802
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(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)
InChIKeyHJMSIIAPBLKCKL-UHFFFAOYSA-N
XLogP0.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 3228802) is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is HJMSIIAPBLKCKL-UHFFFAOYSA-N. 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).
What are the key properties of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3228802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).