2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone

C11H14FNOS — CID 23594824

IUPAC2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1sccc1F)C1CCNCC1
InChIInChI=1S/C11H14FNOS/c12-9-3-6-15-11(9)7-10(14)8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2
InChIKeyWUEIZPQVRSGYON-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.00
Rot. Bonds3

About 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone

2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone (PubChem CID 23594824) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone
PubChem CID23594824
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1sccc1F)C1CCNCC1
InChIInChI=1S/C11H14FNOS/c12-9-3-6-15-11(9)7-10(14)8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2
InChIKeyWUEIZPQVRSGYON-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone (CID 23594824) is 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone is O=C(Cc1sccc1F)C1CCNCC1.
What is the InChIKey of 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone?
The InChIKey is WUEIZPQVRSGYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-3-6-15-11(9)7-10(14)8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2.
What are the key properties of 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone?
2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone has a molecular weight of 227.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiophen-2-yl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 23594824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).