3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

C18H28N2OS — CID 50953455

IUPAC3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCN(Cc1cc(C#CCO)cs1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H28N2OS/c1-17(2)10-15(11-18(3,4)19-17)20(5)12-16-9-14(13-22-16)7-6-8-21/h9,13,15,19,21H,8,10-12H2,1-5H3
InChIKeyUZMUPGBLIZWHSO-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.83
Rot. Bonds3

About 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 50953455) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID50953455
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCN(Cc1cc(C#CCO)cs1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H28N2OS/c1-17(2)10-15(11-18(3,4)19-17)20(5)12-16-9-14(13-22-16)7-6-8-21/h9,13,15,19,21H,8,10-12H2,1-5H3
InChIKeyUZMUPGBLIZWHSO-UHFFFAOYSA-N
XLogP2.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol with MolForge

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Related Compounds

3-{5-[(4-Cyclohexyl-1,4-diazepan-1-yl)methyl]-3-thienyl}prop-2-yn-1-ol
CID 50970091
3-[5-(3,9-Diazaspiro[5.6]dodec-9-ylmethyl)-3-thienyl]prop-2-yn-1-ol
CID 56708738
3-(5-{[(3-Phenylprop-2-yn-1-yl)(propyl)amino]methyl}-3-thienyl)prop-2-yn-1-ol
CID 46988663
3-[5-[[[(2S)-butan-2-yl]-(3-phenylprop-2-ynyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 52399213
3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164632155
3-[5-[[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636045
3-[5-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 29151909
3-[5-[[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 29151911
3-[5-({[1-(2-Fluorobenzyl)-3-piperidinyl]amino}methyl)-3-thienyl]-2-propyn-1-ol
CID 45197111
3-(5-{[2-(3-Fluorophenyl)piperidin-1-yl]methyl}-3-thienyl)prop-2-yn-1-ol
CID 131925060
3-(5-{[3-(1-Isobutyl-4-piperidinyl)-1-pyrrolidinyl]methyl}-3-thienyl)-2-propyn-1-ol
CID 45232531
3-(5-{[2-(Aminomethyl)morpholin-4-yl]methyl}-3-thienyl)prop-2-yn-1-ol
CID 56720871

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 50953455) is 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol is CN(Cc1cc(C#CCO)cs1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is UZMUPGBLIZWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-17(2)10-15(11-18(3,4)19-17)20(5)12-16-9-14(13-22-16)7-6-8-21/h9,13,15,19,21H,8,10-12H2,1-5H3.
What are the key properties of 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 320.50 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 50953455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).