3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine

C13H22FNOS — CID 112563021

IUPAC3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine
SMILESFC1(C2CCOC3(CCSC3)C2)CCCNC1
InChIInChI=1S/C13H22FNOS/c14-13(3-1-5-15-9-13)11-2-6-16-12(8-11)4-7-17-10-12/h11,15H,1-10H2
InChIKeyXUGNEZKIARWUHJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.38
Rot. Bonds1

About 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine

3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine (PubChem CID 112563021) has the molecular formula C13H22FNOS and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine
PubChem CID112563021
Molecular FormulaC13H22FNOS
Molecular Weight259.39 g/mol
Exact Mass259.14
IUPAC Name3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine
SMILESFC1(C2CCOC3(CCSC3)C2)CCCNC1
InChIInChI=1S/C13H22FNOS/c14-13(3-1-5-15-9-13)11-2-6-16-12(8-11)4-7-17-10-12/h11,15H,1-10H2
InChIKeyXUGNEZKIARWUHJ-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine?
The IUPAC name of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine (CID 112563021) is 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine.
What is the SMILES notation for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine?
The canonical SMILES for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine is FC1(C2CCOC3(CCSC3)C2)CCCNC1.
What is the InChIKey of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine?
The InChIKey is XUGNEZKIARWUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNOS/c14-13(3-1-5-15-9-13)11-2-6-16-12(8-11)4-7-17-10-12/h11,15H,1-10H2.
What are the key properties of 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine?
3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine has a molecular weight of 259.39 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine is sourced from PubChem (CID 112563021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).