2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine

C15H26FNOS — CID 106635005

IUPAC2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine
SMILESFC(C1CCOC2(CCSCC2)C1)C1CCCCN1
InChIInChI=1S/C15H26FNOS/c16-14(13-3-1-2-7-17-13)12-4-8-18-15(11-12)5-9-19-10-6-15/h12-14,17H,1-11H2
InChIKeyDFROCMZEEDSCNI-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.16
Rot. Bonds2

About 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine

2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine (PubChem CID 106635005) has the molecular formula C15H26FNOS and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine
PubChem CID106635005
Molecular FormulaC15H26FNOS
Molecular Weight287.44 g/mol
Exact Mass287.17
IUPAC Name2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine
SMILESFC(C1CCOC2(CCSCC2)C1)C1CCCCN1
InChIInChI=1S/C15H26FNOS/c16-14(13-3-1-2-7-17-13)12-4-8-18-15(11-12)5-9-19-10-6-15/h12-14,17H,1-11H2
InChIKeyDFROCMZEEDSCNI-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine?
The IUPAC name of 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine (CID 106635005) is 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine?
The canonical SMILES for 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine is FC(C1CCOC2(CCSCC2)C1)C1CCCCN1.
What is the InChIKey of 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine?
The InChIKey is DFROCMZEEDSCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNOS/c16-14(13-3-1-2-7-17-13)12-4-8-18-15(11-12)5-9-19-10-6-15/h12-14,17H,1-11H2.
What are the key properties of 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine?
2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine has a molecular weight of 287.44 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]piperidine is sourced from PubChem (CID 106635005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).