4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol

C15H18FNOS — CID 70108755

IUPAC4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2c(F)ccc3ccsc23)CCN1C
InChIInChI=1S/C15H18FNOS/c1-10-9-15(18,6-7-17(10)2)13-12(16)4-3-11-5-8-19-14(11)13/h3-5,8,10,18H,6-7,9H2,1-2H3
InChIKeyOJJPBSCMXYHMBJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.34
Rot. Bonds1

About 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol

4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol (PubChem CID 70108755) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol
PubChem CID70108755
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2c(F)ccc3ccsc23)CCN1C
InChIInChI=1S/C15H18FNOS/c1-10-9-15(18,6-7-17(10)2)13-12(16)4-3-11-5-8-19-14(11)13/h3-5,8,10,18H,6-7,9H2,1-2H3
InChIKeyOJJPBSCMXYHMBJ-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol?
The IUPAC name of 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol (CID 70108755) is 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol?
The canonical SMILES for 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol is CC1CC(O)(c2c(F)ccc3ccsc23)CCN1C.
What is the InChIKey of 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol?
The InChIKey is OJJPBSCMXYHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-10-9-15(18,6-7-17(10)2)13-12(16)4-3-11-5-8-19-14(11)13/h3-5,8,10,18H,6-7,9H2,1-2H3.
What are the key properties of 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol?
4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol has a molecular weight of 279.38 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-benzothiophen-7-yl)-1,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 70108755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).