4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine

C11H19NO — CID 154315687

IUPAC4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESC#CC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H19NO/c1-6-9-7-10(2,3)12(13)11(4,5)8-9/h1,9,13H,7-8H2,2-5H3
InChIKeyBZRRKGGCRQIREC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.28
Rot. Bonds

About 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 154315687) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID154315687
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESC#CC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H19NO/c1-6-9-7-10(2,3)12(13)11(4,5)8-9/h1,9,13H,7-8H2,2-5H3
InChIKeyBZRRKGGCRQIREC-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)prop-2-yn-1-ol
CID 23550172
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
CID 91177291
2-(3-ethynyl-1-methylcyclobutyl)ethanamine
CID 137413142
1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021
sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 157333041
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
1,1-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hydrazine
CID 129171446
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 91459045
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol);sulfuric acid
CID 173256440
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 154315687) is 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine is C#CC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is BZRRKGGCRQIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-9-7-10(2,3)12(13)11(4,5)8-9/h1,9,13H,7-8H2,2-5H3.
What are the key properties of 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 181.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 154315687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).