1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol

C14H20FNO3S — CID 58988423

IUPAC1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(S(C)(=O)=O)c2F)CC1
InChIInChI=1S/C14H20FNO3S/c1-3-16-9-7-14(17,8-10-16)11-5-4-6-12(13(11)15)20(2,18)19/h4-6,17H,3,7-10H2,1-2H3
InChIKeyJGKLNSKFFAZKFL-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.53
Rot. Bonds3

About 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol

1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol (PubChem CID 58988423) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol
PubChem CID58988423
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(S(C)(=O)=O)c2F)CC1
InChIInChI=1S/C14H20FNO3S/c1-3-16-9-7-14(17,8-10-16)11-5-4-6-12(13(11)15)20(2,18)19/h4-6,17H,3,7-10H2,1-2H3
InChIKeyJGKLNSKFFAZKFL-UHFFFAOYSA-N
XLogP1.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol 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 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol (CID 58988423) is 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol is CCN1CCC(O)(c2cccc(S(C)(=O)=O)c2F)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol?
The InChIKey is JGKLNSKFFAZKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-3-16-9-7-14(17,8-10-16)11-5-4-6-12(13(11)15)20(2,18)19/h4-6,17H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol?
1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol has a molecular weight of 301.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidin-4-ol is sourced from PubChem (CID 58988423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).