4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine

C16H24FNO4S — CID 91918346

IUPAC4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine
SMILESCCOCCOC1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H24FNO4S/c1-2-21-11-12-22-15-7-9-18(10-8-15)23(19,20)13-14-5-3-4-6-16(14)17/h3-6,15H,2,7-13H2,1H3
InChIKeyFGYHWZQGWOJUSG-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.17
Rot. Bonds8

About 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine

4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine (PubChem CID 91918346) has the molecular formula C16H24FNO4S and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine
PubChem CID91918346
Molecular FormulaC16H24FNO4S
Molecular Weight345.44 g/mol
Exact Mass345.14
IUPAC Name4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine
SMILESCCOCCOC1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H24FNO4S/c1-2-21-11-12-22-15-7-9-18(10-8-15)23(19,20)13-14-5-3-4-6-16(14)17/h3-6,15H,2,7-13H2,1H3
InChIKeyFGYHWZQGWOJUSG-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine?
The IUPAC name of 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine (CID 91918346) is 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine?
The canonical SMILES for 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine is CCOCCOC1CCN(S(=O)(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine?
The InChIKey is FGYHWZQGWOJUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO4S/c1-2-21-11-12-22-15-7-9-18(10-8-15)23(19,20)13-14-5-3-4-6-16(14)17/h3-6,15H,2,7-13H2,1H3.
What are the key properties of 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine?
4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine has a molecular weight of 345.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-1-[(2-fluorophenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 91918346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).