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

C16H22FNO3 — CID 46028741

IUPAC[3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESCCOCCOC1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H22FNO3/c1-2-20-10-11-21-13-6-5-9-18(12-13)16(19)14-7-3-4-8-15(14)17/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeySEERDQHJGZNDBI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.48
Rot. Bonds6

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

[3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 46028741) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID46028741
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name[3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESCCOCCOC1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C16H22FNO3/c1-2-20-10-11-21-13-6-5-9-18(12-13)16(19)14-7-3-4-8-15(14)17/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeySEERDQHJGZNDBI-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.48
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 [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone (CID 46028741) is [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone is CCOCCOC1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is SEERDQHJGZNDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-2-20-10-11-21-13-6-5-9-18(12-13)16(19)14-7-3-4-8-15(14)17/h3-4,7-8,13H,2,5-6,9-12H2,1H3.
What are the key properties of [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone?
[3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 295.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyethoxy)piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 46028741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).