4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol

C16H23NO2S — CID 107228623

IUPAC4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1ccsc1CN1CCCC(CCO)C1
InChIInChI=1S/C16H23NO2S/c18-9-2-1-5-15-7-11-20-16(15)13-17-8-3-4-14(12-17)6-10-19/h7,11,14,18-19H,2-4,6,8-10,12-13H2
InChIKeyBLJCIGVYUIANGL-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.08
Rot. Bonds5

About 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol

4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 107228623) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID107228623
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1ccsc1CN1CCCC(CCO)C1
InChIInChI=1S/C16H23NO2S/c18-9-2-1-5-15-7-11-20-16(15)13-17-8-3-4-14(12-17)6-10-19/h7,11,14,18-19H,2-4,6,8-10,12-13H2
InChIKeyBLJCIGVYUIANGL-UHFFFAOYSA-N
XLogP2.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol with MolForge

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Related Compounds

2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
CID 107228601
3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 114799675
1-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 62941734
4-[2-[(3,4-dimethylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63634507
4-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62972395
4-[2-(1,4-oxazepan-4-ylmethyl)thiophen-3-yl]but-3-yn-1-ol
CID 62974013
4-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62778177
3-[2-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 63623385
4-[2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81475295
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62994665
4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 102935406
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol (CID 107228623) is 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol is OCCC#Cc1ccsc1CN1CCCC(CCO)C1.
What is the InChIKey of 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is BLJCIGVYUIANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-9-2-1-5-15-7-11-20-16(15)13-17-8-3-4-14(12-17)6-10-19/h7,11,14,18-19H,2-4,6,8-10,12-13H2.
What are the key properties of 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 293.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 107228623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).