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

C15H22FNO4S — CID 91918301

IUPAC1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H22FNO4S/c1-20-10-11-21-14-6-8-17(9-7-14)22(18,19)12-13-4-2-3-5-15(13)16/h2-5,14H,6-12H2,1H3
InChIKeyRLPKRIZLOQUEKQ-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.78
Rot. Bonds7

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

1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine (PubChem CID 91918301) has the molecular formula C15H22FNO4S and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine
PubChem CID91918301
Molecular FormulaC15H22FNO4S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H22FNO4S/c1-20-10-11-21-14-6-8-17(9-7-14)22(18,19)12-13-4-2-3-5-15(13)16/h2-5,14H,6-12H2,1H3
InChIKeyRLPKRIZLOQUEKQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.78
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 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine (CID 91918301) is 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(S(=O)(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine?
The InChIKey is RLPKRIZLOQUEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4S/c1-20-10-11-21-14-6-8-17(9-7-14)22(18,19)12-13-4-2-3-5-15(13)16/h2-5,14H,6-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine?
1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine has a molecular weight of 331.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfonyl]-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 91918301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).