Basic information
- CAS
16862-13-8- Standard SMILES
CC(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccc1- InChIKey
AOIZTZNZAHUCIJ-UHFFFAOYSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18344366
Names & identifiers
- Preferred name
- N-methyl-4-piperidylisopentynylphenylglycolate
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhex-3-ynoate
Names & synonyms
16862-13-8N-Methyl-4-piperidylisopentynylphenylglycolateBenzeneacetic acid, alpha-hydroxy-alpha-(3-methyl-1-butynyl)-, 1-methyl-4-piperidinyl esterRefChem:1637141-Methyl-4-piperidyl phenyl(3-methyl-1-butynyl)glycolateBRN 1493814(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhex-3-ynoatealpha-(3-Methyl-1-butynyl)mandelic acid 1-methyl-4-piperidyl esterDTXSID309375121-METHYLPIPERIDIN-4-YL 2-HYDROXY-5-METHYL-2-PHENYLHEX-3-YNOATEMANDELIC ACID, alpha-(3-METHYL-1-BUTYNYL)-, 1-METHYL-4-PIPERIDYL ESTERN-methyl-4-piperidyl isopentynylphenylglycolate
Database identifiers
- CAS
16862-13-8- PubChem CID
- 28113
- DTXSID
DTXSID30937512- Nikkaji
- J147.721H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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