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

C15H22FNOS — CID 55064762

IUPAC2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(CCSc2ccccc2F)C1
InChIInChI=1S/C15H22FNOS/c16-14-5-1-2-6-15(14)19-11-9-17-8-3-4-13(12-17)7-10-18/h1-2,5-6,13,18H,3-4,7-12H2
InChIKeyBEWPEVUPFZXLAS-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.01
Rot. Bonds6

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

2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol (PubChem CID 55064762) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
PubChem CID55064762
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(CCSc2ccccc2F)C1
InChIInChI=1S/C15H22FNOS/c16-14-5-1-2-6-15(14)19-11-9-17-8-3-4-13(12-17)7-10-18/h1-2,5-6,13,18H,3-4,7-12H2
InChIKeyBEWPEVUPFZXLAS-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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Related Compounds

[1-[2-(Benzenesulfonyl)ethyl]piperidin-4-yl]methanol
CID 51080704
6-fluoro-3-(4-[hydroxymethyl]-piperidinomethyl)-3,4-dihydro-2H-1-benzothiopyran
CID 19982146
(4S,4aR)-1-[3-(4-fluorophenyl)sulfanylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 56615104
2-[1-[2-(3,5-Difluorophenyl)sulfanylethyl]piperidin-3-yl]acetic acid
CID 141033579
[1-(4-Fluorophenyl)sulfanylpiperidin-4-yl]methanol
CID 143457197
2-[1-[2-(2,5-Difluorophenyl)sulfanylethyl]piperidin-3-yl]acetic acid
CID 153771222
1-[2-(4-Fluorophenyl)sulfanylethyl]piperidine-4-carboxylic acid
CID 43385816
2-(4-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403321
2-(2-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403350
3-(2-Fluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43422214
2-(2,4-Difluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43422270
2-(3,4-Difluorophenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43422271

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol (CID 55064762) is 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol is OCCC1CCCN(CCSc2ccccc2F)C1.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
The InChIKey is BEWPEVUPFZXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c16-14-5-1-2-6-15(14)19-11-9-17-8-3-4-13(12-17)7-10-18/h1-2,5-6,13,18H,3-4,7-12H2.
What are the key properties of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol?
2-[1-[2-(2-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-(2-fluorophenyl)sulfanylethyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 55064762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).