2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol

C15H22FNOS — CID 55064382

IUPAC2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNOS/c16-14-3-5-15(6-4-14)19-11-9-17-8-1-2-13(12-17)7-10-18/h3-6,13,18H,1-2,7-12H2
InChIKeyFPHYSVUCKKPRLJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol

2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol (PubChem CID 55064382) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
PubChem CID55064382
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(CCSc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNOS/c16-14-3-5-15(6-4-14)19-11-9-17-8-1-2-13(12-17)7-10-18/h3-6,13,18H,1-2,7-12H2
InChIKeyFPHYSVUCKKPRLJ-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol (CID 55064382) is 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol is OCCC1CCCN(CCSc2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
The InChIKey is FPHYSVUCKKPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c16-14-3-5-15(6-4-14)19-11-9-17-8-1-2-13(12-17)7-10-18/h3-6,13,18H,1-2,7-12H2.
What are the key properties of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol has a molecular weight of 283.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 55064382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).