4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid

Name: 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₀FNO₄S — CID 154741511

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid

SMILESO=C(O)CCCS(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1

InChIInChI=1S/C16H20FNO4S/c17-15-4-1-3-14(12-15)11-13-6-8-18(9-7-13)23(21,22)10-2-5-16(19)20/h1,3-4,11-12H,2,5-10H2,(H,19,20)

InChIKeyUGINAOAAIKDFEQ-UHFFFAOYSA-N

MW341.40 g/mol

LogP2.50

Rot. Bonds6

About 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid

4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid (PubChem CID 154741511) has the molecular formula C₁₆H₂₀FNO₄S and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name	4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid
PubChem CID	154741511
Molecular Formula	C₁₆H₂₀FNO₄S
Molecular Weight	341.40 g/mol
Exact Mass	341.11
IUPAC Name	4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid
SMILES	O=C(O)CCCS(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1
InChI	InChI=1S/C16H20FNO4S/c17-15-4-1-3-14(12-15)11-13-6-8-18(9-7-13)23(21,22)10-2-5-16(19)20/h1,3-4,11-12H,2,5-10H2,(H,19,20)
InChIKey	UGINAOAAIKDFEQ-UHFFFAOYSA-N
XLogP	2.50
TPSA	74.68 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.40
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid?

The IUPAC name of 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid (CID 154741511) is 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid.

What is the SMILES notation for 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid?

The canonical SMILES for 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCC(=Cc2cccc(F)c2)CC1.

What is the InChIKey of 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid?

The InChIKey is UGINAOAAIKDFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4S/c17-15-4-1-3-14(12-15)11-13-6-8-18(9-7-13)23(21,22)10-2-5-16(19)20/h1,3-4,11-12H,2,5-10H2,(H,19,20).

What are the key properties of 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid?

4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid has a molecular weight of 341.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 154741511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154741511 — identifiers, structure, computed properties (public domain)

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