[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate

C19H28FNO3 — CID 101430933

IUPAC[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate
SMILESCC(=O)OC(Cc1ccc(F)cc1)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H28FNO3/c1-14(22)23-17(13-15-7-9-16(20)10-8-15)24-21-18(2,3)11-6-12-19(21,4)5/h7-10,17H,6,11-13H2,1-5H3
InChIKeyGVNKHWIVWJWHAH-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.23
Rot. Bonds5

About [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate

[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate (PubChem CID 101430933) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate
PubChem CID101430933
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC Name[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate
SMILESCC(=O)OC(Cc1ccc(F)cc1)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H28FNO3/c1-14(22)23-17(13-15-7-9-16(20)10-8-15)24-21-18(2,3)11-6-12-19(21,4)5/h7-10,17H,6,11-13H2,1-5H3
InChIKeyGVNKHWIVWJWHAH-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate 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-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate?
The IUPAC name of [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate (CID 101430933) is [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate?
The canonical SMILES for [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate is CC(=O)OC(Cc1ccc(F)cc1)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate?
The InChIKey is GVNKHWIVWJWHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO3/c1-14(22)23-17(13-15-7-9-16(20)10-8-15)24-21-18(2,3)11-6-12-19(21,4)5/h7-10,17H,6,11-13H2,1-5H3.
What are the key properties of [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate?
[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate has a molecular weight of 337.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate is sourced from PubChem (CID 101430933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).