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

C14H20FNOS — CID 57448079

IUPAC1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(SC)c2F)CC1
InChIInChI=1S/C14H20FNOS/c1-3-16-9-7-14(17,8-10-16)11-5-4-6-12(18-2)13(11)15/h4-6,17H,3,7-10H2,1-2H3
InChIKeyOYMPBQWRDJQPGW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.85
Rot. Bonds3

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

1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol (PubChem CID 57448079) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol
PubChem CID57448079
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cccc(SC)c2F)CC1
InChIInChI=1S/C14H20FNOS/c1-3-16-9-7-14(17,8-10-16)11-5-4-6-12(18-2)13(11)15/h4-6,17H,3,7-10H2,1-2H3
InChIKeyOYMPBQWRDJQPGW-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)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-methylsulfanylphenyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol (CID 57448079) is 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol is CCN1CCC(O)(c2cccc(SC)c2F)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol?
The InChIKey is OYMPBQWRDJQPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-3-16-9-7-14(17,8-10-16)11-5-4-6-12(18-2)13(11)15/h4-6,17H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol?
1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol has a molecular weight of 269.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoro-3-methylsulfanylphenyl)piperidin-4-ol is sourced from PubChem (CID 57448079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).