3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine

C16H28FNOS — CID 115918039

IUPAC3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine
SMILESCC(F)(C1CCCNC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H28FNOS/c1-15(17,14-3-2-7-18-12-14)13-4-8-19-16(11-13)5-9-20-10-6-16/h13-14,18H,2-12H2,1H3
InChIKeyXDHKNMKCXDLRGM-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.41
Rot. Bonds2

About 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine

3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine (PubChem CID 115918039) has the molecular formula C16H28FNOS and a molecular weight of 301.47 g/mol. Its IUPAC name is 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine
PubChem CID115918039
Molecular FormulaC16H28FNOS
Molecular Weight301.47 g/mol
Exact Mass301.19
IUPAC Name3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine
SMILESCC(F)(C1CCCNC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H28FNOS/c1-15(17,14-3-2-7-18-12-14)13-4-8-19-16(11-13)5-9-20-10-6-16/h13-14,18H,2-12H2,1H3
InChIKeyXDHKNMKCXDLRGM-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine (CID 115918039) is 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine is CC(F)(C1CCCNC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine?
The InChIKey is XDHKNMKCXDLRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FNOS/c1-15(17,14-3-2-7-18-12-14)13-4-8-19-16(11-13)5-9-20-10-6-16/h13-14,18H,2-12H2,1H3.
What are the key properties of 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine?
3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine has a molecular weight of 301.47 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]piperidine is sourced from PubChem (CID 115918039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).