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

C15H22FNOS — CID 103657084

IUPAC1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCSc2ccccc2F)CC1
InChIInChI=1S/C15H22FNOS/c1-12(18)13-6-8-17(9-7-13)10-11-19-15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3
InChIKeyJWSJGBUQWDVFDE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.01
Rot. Bonds5

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

1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol (PubChem CID 103657084) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol
PubChem CID103657084
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCSc2ccccc2F)CC1
InChIInChI=1S/C15H22FNOS/c1-12(18)13-6-8-17(9-7-13)10-11-19-15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3
InChIKeyJWSJGBUQWDVFDE-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol (CID 103657084) is 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CCSc2ccccc2F)CC1.
What is the InChIKey of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol?
The InChIKey is JWSJGBUQWDVFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-12(18)13-6-8-17(9-7-13)10-11-19-15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol?
1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol has a molecular weight of 283.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103657084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).