1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

C17H24FNO3 — CID 91918308

IUPAC1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCCOCCOC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FNO3/c1-2-21-10-11-22-16-6-8-19(9-7-16)17(20)13-14-4-3-5-15(18)12-14/h3-5,12,16H,2,6-11,13H2,1H3
InChIKeyQCEKZHCRHOMBBK-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.41
Rot. Bonds7

About 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 91918308) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID91918308
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCCOCCOC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FNO3/c1-2-21-10-11-22-16-6-8-19(9-7-16)17(20)13-14-4-3-5-15(18)12-14/h3-5,12,16H,2,6-11,13H2,1H3
InChIKeyQCEKZHCRHOMBBK-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
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 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 91918308) is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is CCOCCOC1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is QCEKZHCRHOMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-2-21-10-11-22-16-6-8-19(9-7-16)17(20)13-14-4-3-5-15(18)12-14/h3-5,12,16H,2,6-11,13H2,1H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 309.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 91918308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).