4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol

C13H18FNOS — CID 59808797

IUPAC4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol
SMILESCSc1cc(F)cc(C2(O)CCN(C)CC2)c1
InChIInChI=1S/C13H18FNOS/c1-15-5-3-13(16,4-6-15)10-7-11(14)9-12(8-10)17-2/h7-9,16H,3-6H2,1-2H3
InChIKeyHTSPLIQIDRETCV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.46
Rot. Bonds2

About 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol

4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol (PubChem CID 59808797) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol
PubChem CID59808797
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol
SMILESCSc1cc(F)cc(C2(O)CCN(C)CC2)c1
InChIInChI=1S/C13H18FNOS/c1-15-5-3-13(16,4-6-15)10-7-11(14)9-12(8-10)17-2/h7-9,16H,3-6H2,1-2H3
InChIKeyHTSPLIQIDRETCV-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol (CID 59808797) is 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol is CSc1cc(F)cc(C2(O)CCN(C)CC2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol?
The InChIKey is HTSPLIQIDRETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-15-5-3-13(16,4-6-15)10-7-11(14)9-12(8-10)17-2/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol?
4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol has a molecular weight of 255.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylsulfanylphenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 59808797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).