1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine

C14H20FNO3S — CID 42844225

IUPAC1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO3S/c1-2-10-19-13-4-3-9-16(11-13)20(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3
InChIKeyCJZGYOYXOJCPQS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine

1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine (PubChem CID 42844225) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine
PubChem CID42844225
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO3S/c1-2-10-19-13-4-3-9-16(11-13)20(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3
InChIKeyCJZGYOYXOJCPQS-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine (CID 42844225) is 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine is CCCOC1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine?
The InChIKey is CJZGYOYXOJCPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-10-19-13-4-3-9-16(11-13)20(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine?
1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine has a molecular weight of 301.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-propoxypiperidine is sourced from PubChem (CID 42844225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).