Basic information
- CAS
101931-79-7- Standard SMILES
CC#CC(O)(C#CC)C(=O)OC1CCN(C)CC1- InChIKey
PJWQCCFSMZZYBL-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-ynylpent-3-ynoate
Names & synonyms
1-Methyl-4-piperidyl di(1-propynyl)glycolate3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 1-methyl-4-piperidyl ester101931-79-7DTXSID00144377RefChem:281617DTXCID60668681-METHYLPIPERIDIN-4-YL 2-HYDROXY-2-(PROP-1-YN-1-YL)PENT-3-YNOATE
Database identifiers
- CAS
101931-79-7- PubChem CID
- 3063992
- DTXSID
DTXSID00144377
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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