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

C14H24FNOS — CID 112563249

IUPAC4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine
SMILESFC1(C2CCOC3(CCSCC3)C2)CCNCC1
InChIInChI=1S/C14H24FNOS/c15-14(2-6-16-7-3-14)12-1-8-17-13(11-12)4-9-18-10-5-13/h12,16H,1-11H2
InChIKeyXXYZBBKSSNZKLI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.77
Rot. Bonds1

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

4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine (PubChem CID 112563249) has the molecular formula C14H24FNOS and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine
PubChem CID112563249
Molecular FormulaC14H24FNOS
Molecular Weight273.42 g/mol
Exact Mass273.16
IUPAC Name4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine
SMILESFC1(C2CCOC3(CCSCC3)C2)CCNCC1
InChIInChI=1S/C14H24FNOS/c15-14(2-6-16-7-3-14)12-1-8-17-13(11-12)4-9-18-10-5-13/h12,16H,1-11H2
InChIKeyXXYZBBKSSNZKLI-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine?
The IUPAC name of 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine (CID 112563249) is 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine?
The canonical SMILES for 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine is FC1(C2CCOC3(CCSCC3)C2)CCNCC1.
What is the InChIKey of 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine?
The InChIKey is XXYZBBKSSNZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNOS/c15-14(2-6-16-7-3-14)12-1-8-17-13(11-12)4-9-18-10-5-13/h12,16H,1-11H2.
What are the key properties of 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine?
4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine has a molecular weight of 273.42 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine is sourced from PubChem (CID 112563249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).