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

C15H16FNO2S — CID 78913748

IUPAC(6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2s1)N1CCCC(CO)C1
InChIInChI=1S/C15H16FNO2S/c16-12-4-3-11-6-14(20-13(11)7-12)15(19)17-5-1-2-10(8-17)9-18/h3-4,6-7,10,18H,1-2,5,8-9H2
InChIKeyXVLVZNHVDDGUGB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.88
Rot. Bonds2

About (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 78913748) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID78913748
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2s1)N1CCCC(CO)C1
InChIInChI=1S/C15H16FNO2S/c16-12-4-3-11-6-14(20-13(11)7-12)15(19)17-5-1-2-10(8-17)9-18/h3-4,6-7,10,18H,1-2,5,8-9H2
InChIKeyXVLVZNHVDDGUGB-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 (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 78913748) is (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc2ccc(F)cc2s1)N1CCCC(CO)C1.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is XVLVZNHVDDGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-12-4-3-11-6-14(20-13(11)7-12)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 (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(6-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 (6-fluoro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 78913748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).