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

C14H14FNO2S — CID 43391890

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCC(O)CC1
InChIInChI=1S/C14H14FNO2S/c15-10-1-2-12-9(7-10)8-13(19-12)14(18)16-5-3-11(17)4-6-16/h1-2,7-8,11,17H,3-6H2
InChIKeyJCNLKXVHSQFDLK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds1

About (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43391890) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43391890
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCC(O)CC1
InChIInChI=1S/C14H14FNO2S/c15-10-1-2-12-9(7-10)8-13(19-12)14(18)16-5-3-11(17)4-6-16/h1-2,7-8,11,17H,3-6H2
InChIKeyJCNLKXVHSQFDLK-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 (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43391890) is (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc2cc(F)ccc2s1)N1CCC(O)CC1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is JCNLKXVHSQFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c15-10-1-2-12-9(7-10)8-13(19-12)14(18)16-5-3-11(17)4-6-16/h1-2,7-8,11,17H,3-6H2.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(5-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 (5-fluoro-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43391890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).