4-fluoro-1-(3-sulfanyloxypropyl)piperidine

C8H16FNOS — CID 139446862

IUPAC4-fluoro-1-(3-sulfanyloxypropyl)piperidine
SMILESFC1CCN(CCCOS)CC1
InChIInChI=1S/C8H16FNOS/c9-8-2-5-10(6-3-8)4-1-7-11-12/h8,12H,1-7H2
InChIKeyTYNQNKHHHYKODY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.67
Rot. Bonds4

About 4-fluoro-1-(3-sulfanyloxypropyl)piperidine

4-fluoro-1-(3-sulfanyloxypropyl)piperidine (PubChem CID 139446862) has the molecular formula C8H16FNOS and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-fluoro-1-(3-sulfanyloxypropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-sulfanyloxypropyl)piperidine
PubChem CID139446862
Molecular FormulaC8H16FNOS
Molecular Weight193.29 g/mol
Exact Mass193.09
IUPAC Name4-fluoro-1-(3-sulfanyloxypropyl)piperidine
SMILESFC1CCN(CCCOS)CC1
InChIInChI=1S/C8H16FNOS/c9-8-2-5-10(6-3-8)4-1-7-11-12/h8,12H,1-7H2
InChIKeyTYNQNKHHHYKODY-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-sulfanyloxypropyl)piperidine?
The IUPAC name of 4-fluoro-1-(3-sulfanyloxypropyl)piperidine (CID 139446862) is 4-fluoro-1-(3-sulfanyloxypropyl)piperidine.
What is the SMILES notation for 4-fluoro-1-(3-sulfanyloxypropyl)piperidine?
The canonical SMILES for 4-fluoro-1-(3-sulfanyloxypropyl)piperidine is FC1CCN(CCCOS)CC1.
What is the InChIKey of 4-fluoro-1-(3-sulfanyloxypropyl)piperidine?
The InChIKey is TYNQNKHHHYKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS/c9-8-2-5-10(6-3-8)4-1-7-11-12/h8,12H,1-7H2.
What are the key properties of 4-fluoro-1-(3-sulfanyloxypropyl)piperidine?
4-fluoro-1-(3-sulfanyloxypropyl)piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-sulfanyloxypropyl)piperidine is sourced from PubChem (CID 139446862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).