4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol

C18H20FNOS — CID 69151242

IUPAC4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol
SMILESCc1cc(F)ccc1Sc1ccccc1C1(O)CCNCC1
InChIInChI=1S/C18H20FNOS/c1-13-12-14(19)6-7-16(13)22-17-5-3-2-4-15(17)18(21)8-10-20-11-9-18/h2-7,12,20-21H,8-11H2,1H3
InChIKeyDJSGZDDNSYHYDA-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.86
Rot. Bonds3

About 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol

4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol (PubChem CID 69151242) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol
PubChem CID69151242
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol
SMILESCc1cc(F)ccc1Sc1ccccc1C1(O)CCNCC1
InChIInChI=1S/C18H20FNOS/c1-13-12-14(19)6-7-16(13)22-17-5-3-2-4-15(17)18(21)8-10-20-11-9-18/h2-7,12,20-21H,8-11H2,1H3
InChIKeyDJSGZDDNSYHYDA-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]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 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol?
The IUPAC name of 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol (CID 69151242) is 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol is Cc1cc(F)ccc1Sc1ccccc1C1(O)CCNCC1.
What is the InChIKey of 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol?
The InChIKey is DJSGZDDNSYHYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-13-12-14(19)6-7-16(13)22-17-5-3-2-4-15(17)18(21)8-10-20-11-9-18/h2-7,12,20-21H,8-11H2,1H3.
What are the key properties of 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol?
4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol has a molecular weight of 317.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-2-methylphenyl)sulfanylphenyl]piperidin-4-ol is sourced from PubChem (CID 69151242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).