2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-ol
Basic information
- Standard SMILES
CN1CC=C(C#CC(C)(C)O)CC1- InChIKey
INAVOOLPGKBJMC-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-ol
- IUPAC
- 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-ol
Names & synonyms
2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-olCHEMBL2008785NCI60_0299062-Methyl-4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)-3-butyn-2-ol oxalate
Database identifiers
- PubChem CID
- 388478
- ChEMBL
CHEMBL2008785
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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