4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine

C16H24FNOS — CID 18342644

IUPAC4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCS(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNOS/c1-13(2)18-10-7-14(8-11-18)9-12-20(19)16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyDDUBBGKBUXJRIN-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.44
Rot. Bonds5

About 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine

4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine (PubChem CID 18342644) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine
PubChem CID18342644
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Name4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCS(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNOS/c1-13(2)18-10-7-14(8-11-18)9-12-20(19)16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyDDUBBGKBUXJRIN-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine 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-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine (CID 18342644) is 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine is CC(C)N1CCC(CCS(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine?
The InChIKey is DDUBBGKBUXJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-13(2)18-10-7-14(8-11-18)9-12-20(19)16-5-3-15(17)4-6-16/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine?
4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine has a molecular weight of 297.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfinylethyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 18342644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).