2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine

C17H24FNO4S — CID 56501745

IUPAC2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine
SMILESO=S(=O)(CCCN1CCCCC1C1OCCO1)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO4S/c18-14-5-7-15(8-6-14)24(20,21)13-3-10-19-9-2-1-4-16(19)17-22-11-12-23-17/h5-8,16-17H,1-4,9-13H2
InChIKeyQZXCGCFPLFDWET-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.22
Rot. Bonds6

About 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine

2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine (PubChem CID 56501745) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine
PubChem CID56501745
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Name2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine
SMILESO=S(=O)(CCCN1CCCCC1C1OCCO1)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO4S/c18-14-5-7-15(8-6-14)24(20,21)13-3-10-19-9-2-1-4-16(19)17-22-11-12-23-17/h5-8,16-17H,1-4,9-13H2
InChIKeyQZXCGCFPLFDWET-UHFFFAOYSA-N
XLogP2.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine (CID 56501745) is 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine is O=S(=O)(CCCN1CCCCC1C1OCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine?
The InChIKey is QZXCGCFPLFDWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4S/c18-14-5-7-15(8-6-14)24(20,21)13-3-10-19-9-2-1-4-16(19)17-22-11-12-23-17/h5-8,16-17H,1-4,9-13H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine?
2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine has a molecular weight of 357.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-[3-(4-fluorophenyl)sulfonylpropyl]piperidine is sourced from PubChem (CID 56501745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).