1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol

C12H21NO2 — CID 23550172

IUPAC1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-6-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h1,9-10,14-15H,7-8H2,2-5H3
InChIKeyKZSOPUXNJGAGLZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.64
Rot. Bonds1

About 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol

1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol (PubChem CID 23550172) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol
PubChem CID23550172
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-6-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h1,9-10,14-15H,7-8H2,2-5H3
InChIKeyKZSOPUXNJGAGLZ-UHFFFAOYSA-N
XLogP1.64
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-Tetramethylpiperidine-1,3-diol
CID 54103793
CID 57574579
CID 57574579
CID 59041163
CID 59041163
2,2,6,6-Tetraethyl-1-hydroxypiperidin-4-ol
CID 70232944
1-Hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-ol
CID 20792507
4-Piperidinol, 2,6-diethyl-1-hydroxy-2,3,6-trimethyl-
CID 22182258
2,6-Diethyl-1-hydroxy-2,6-dimethylpiperidin-4-ol
CID 22341829
2-Ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-ol
CID 22341831
2,2-Diethyl-1-hydroxy-6,6-dimethylpiperidin-4-ol
CID 22341845
(1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl)methanol
CID 22895107
2-Hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile
CID 23550173
1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-1-ol
CID 23550175

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol (CID 23550172) is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol is C#CC(O)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol?
The InChIKey is KZSOPUXNJGAGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h1,9-10,14-15H,7-8H2,2-5H3.
What are the key properties of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol?
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol has a molecular weight of 211.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 23550172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).