4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol

C17H24NOS+ — CID 6984428

IUPAC4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
SMILESCC1(C)CC(O)(c2csc3ccccc23)CC(C)(C)[NH2+]1
InChIInChI=1S/C17H23NOS/c1-15(2)10-17(19,11-16(3,4)18-15)13-9-20-14-8-6-5-7-12(13)14/h5-9,18-19H,10-11H2,1-4H3/p+1
InChIKeyCYWFHHWNHJOSGH-UHFFFAOYSA-O
MW290.45 g/mol
LogP3.00
Rot. Bonds1

About 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol

4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol (PubChem CID 6984428) has the molecular formula C17H24NOS+ and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
PubChem CID6984428
Molecular FormulaC17H24NOS+
Molecular Weight290.45 g/mol
Exact Mass290.16
IUPAC Name4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
SMILESCC1(C)CC(O)(c2csc3ccccc23)CC(C)(C)[NH2+]1
InChIInChI=1S/C17H23NOS/c1-15(2)10-17(19,11-16(3,4)18-15)13-9-20-14-8-6-5-7-12(13)14/h5-9,18-19H,10-11H2,1-4H3/p+1
InChIKeyCYWFHHWNHJOSGH-UHFFFAOYSA-O
XLogP3.00
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol with MolForge

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Related Compounds

tert-butyl 4-(1-benzothiophen-3-yl)-4-hydroxypiperidine-1-carboxylate
CID 71512889
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CID 116856563
3-[3-(1-benzothiophen-3-yl)oxetan-3-yl]propanoic acid
CID 116871968
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CID 116875298
4-(1-benzothiophen-3-ylmethyl)-2-ethyl-2-methyloxan-4-ol
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CID 70563074
tert-butyl 3-(1-benzothiophen-3-ylmethyl)-3-hydroxyazetidine-1-carboxylate
CID 103696007
N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 11680403
(1R,2R,5R)-2-(1-benzothiophen-3-ylmethyl)-2-hydroxy-4,4-dimethyl-5-phenylcyclopentane-1-carbaldehyde
CID 162403468
3-[chloro-(1-methylcyclohexyl)methyl]-1-benzothiophene
CID 106828447
1-benzothiophen-3-ylmethyl-ethyl-(2-hydroxyethyl)azanium
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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
The IUPAC name of 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol (CID 6984428) is 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol is CC1(C)CC(O)(c2csc3ccccc23)CC(C)(C)[NH2+]1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
The InChIKey is CYWFHHWNHJOSGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23NOS/c1-15(2)10-17(19,11-16(3,4)18-15)13-9-20-14-8-6-5-7-12(13)14/h5-9,18-19H,10-11H2,1-4H3/p+1.
What are the key properties of 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol?
4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol has a molecular weight of 290.45 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 6984428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).