(4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C14H14FNO2S — CID 43391872

IUPAC(4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCC(O)CC1
InChIInChI=1S/C14H14FNO2S/c15-11-2-1-3-12-10(11)8-13(19-12)14(18)16-6-4-9(17)5-7-16/h1-3,8-9,17H,4-7H2
InChIKeyIDAAFTUJJGCRBW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds1

About (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43391872) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43391872
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name(4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCC(O)CC1
InChIInChI=1S/C14H14FNO2S/c15-11-2-1-3-12-10(11)8-13(19-12)14(18)16-6-4-9(17)5-7-16/h1-3,8-9,17H,4-7H2
InChIKeyIDAAFTUJJGCRBW-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43391872) is (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc2c(F)cccc2s1)N1CCC(O)CC1.
What is the InChIKey of (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is IDAAFTUJJGCRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c15-11-2-1-3-12-10(11)8-13(19-12)14(18)16-6-4-9(17)5-7-16/h1-3,8-9,17H,4-7H2.
What are the key properties of (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43391872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).