1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol

C14H20FNOS — CID 103898304

IUPAC1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CCSc2ccccc2F)CC1O
InChIInChI=1S/C14H20FNOS/c1-11-6-7-16(10-13(11)17)8-9-18-14-5-3-2-4-12(14)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyJECQGIIOHMWZOX-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol

1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol (PubChem CID 103898304) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol
PubChem CID103898304
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CCSc2ccccc2F)CC1O
InChIInChI=1S/C14H20FNOS/c1-11-6-7-16(10-13(11)17)8-9-18-14-5-3-2-4-12(14)15/h2-5,11,13,17H,6-10H2,1H3
InChIKeyJECQGIIOHMWZOX-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol (CID 103898304) is 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol is CC1CCN(CCSc2ccccc2F)CC1O.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol?
The InChIKey is JECQGIIOHMWZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-11-6-7-16(10-13(11)17)8-9-18-14-5-3-2-4-12(14)15/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol?
1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol has a molecular weight of 269.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103898304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).