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

C15H22FNOS — CID 60690196

IUPAC2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCSc1ccc(F)cc1
InChIInChI=1S/C15H22FNOS/c16-13-4-6-15(7-5-13)19-12-10-17-9-2-1-3-14(17)8-11-18/h4-7,14,18H,1-3,8-12H2
InChIKeyOQCZYWKSAQUMQU-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.15
Rot. Bonds6

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

2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol (PubChem CID 60690196) 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-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol
PubChem CID60690196
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCSc1ccc(F)cc1
InChIInChI=1S/C15H22FNOS/c16-13-4-6-15(7-5-13)19-12-10-17-9-2-1-3-14(17)8-11-18/h4-7,14,18H,1-3,8-12H2
InChIKeyOQCZYWKSAQUMQU-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol (CID 60690196) is 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CCSc1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol?
The InChIKey is OQCZYWKSAQUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c16-13-4-6-15(7-5-13)19-12-10-17-9-2-1-3-14(17)8-11-18/h4-7,14,18H,1-3,8-12H2.
What are the key properties of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol?
2-[1-[2-(4-fluorophenyl)sulfanylethyl]piperidin-2-yl]ethanol has a molecular weight of 283.41 g/mol, XLogP of 3.15, 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-2-yl]ethanol is sourced from PubChem (CID 60690196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).