4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol

C14H17NOS — CID 81142371

IUPAC4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cccc3ccsc23)CC1
InChIInChI=1S/C14H17NOS/c1-15-8-6-14(16,7-9-15)12-4-2-3-11-5-10-17-13(11)12/h2-5,10,16H,6-9H2,1H3
InChIKeyLJHPMLMDYAOBLD-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.81
Rot. Bonds1

About 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol

4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol (PubChem CID 81142371) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol
PubChem CID81142371
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cccc3ccsc23)CC1
InChIInChI=1S/C14H17NOS/c1-15-8-6-14(16,7-9-15)12-4-2-3-11-5-10-17-13(11)12/h2-5,10,16H,6-9H2,1H3
InChIKeyLJHPMLMDYAOBLD-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tiemonium Iodide
CID 72142
3-Benzo[b]thiophen-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol
CID 10061123
4-Phenyl-1-(phenyl(thiophen-2-yl)methyl)piperidin-4-ol
CID 44426824
(3R)-3-(1-benzothiophen-2-yl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
CID 45488306
1-(1-benzothiophen-2-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572162
1-(1-benzothiophen-3-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572393
3-Benzo[b]thiophen-2-yl-1-aza-bicyclo[2.2.2]octan-3-ol
CID 10467755
Tiemonium
CID 5473
1-(1-Benzothien-3-yl)-2-(4-morpholinyl)ethanol
CID 23723140
3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide
CID 9652
1-(1-Benzothiophen-3-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23864
1-Piperidinepropanol, alpha-phenyl-alpha-(2-thienyl)-
CID 121415

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol (CID 81142371) is 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2cccc3ccsc23)CC1.
What is the InChIKey of 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol?
The InChIKey is LJHPMLMDYAOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15-8-6-14(16,7-9-15)12-4-2-3-11-5-10-17-13(11)12/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol?
4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol has a molecular weight of 247.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 81142371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).