(5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C15H16FNO2S — CID 43403404

IUPAC(5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCCC(CO)C1
InChIInChI=1S/C15H16FNO2S/c16-12-3-4-13-11(6-12)7-14(20-13)15(19)17-5-1-2-10(8-17)9-18/h3-4,6-7,10,18H,1-2,5,8-9H2
InChIKeyTXDMXQAPRHCVTE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.88
Rot. Bonds2

About (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43403404) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43403404
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCCC(CO)C1
InChIInChI=1S/C15H16FNO2S/c16-12-3-4-13-11(6-12)7-14(20-13)15(19)17-5-1-2-10(8-17)9-18/h3-4,6-7,10,18H,1-2,5,8-9H2
InChIKeyTXDMXQAPRHCVTE-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.88
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)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43403404) is (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc2cc(F)ccc2s1)N1CCCC(CO)C1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is TXDMXQAPRHCVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-12-3-4-13-11(6-12)7-14(20-13)15(19)17-5-1-2-10(8-17)9-18/h3-4,6-7,10,18H,1-2,5,8-9H2.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(5-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 293.36 g/mol, XLogP of 2.88, 2 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)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43403404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).