Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester
Basic information
- CAS
101711-09-5- Standard SMILES
CCC(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccc1- InChIKey
HDUXUOVCPBZSCM-UHFFFAOYSA-N- Molecular formula
- C20H27NO3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
- English name
- 1-Methyl-4-piperidyl phenyl(3-methyl-1-pentynyl)glycolate
- Molecular weight
- 0
Names & synonyms
101711-09-5MANDELIC ACID, alpha-(3-METHYL-1-PENTYNYL)-, 1-METHYL-4-PIPERIDYL ESTERRefChem:10888051-Methyl-4-piperidyl phenyl(3-methyl-1-pentynyl)glycolate(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhept-3-ynoate1-methylpiperidin-4-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoateDTXSID10906564Benzeneacetic acid, alpha-hydroxy-alpha-(3-methyl-1-pentyn-1-yl)-, 1-methyl-4-piperidinyl ester(1-Methylpiperidin-4-yl)2-hydroxy-5-methyl-2-phenylhept-3-ynoate
Database identifiers
- CAS
101711-09-5- PubChem CID
- 58819
- DTXSID
DTXSID10906564- Nikkaji
- J147.723D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
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Compound notes
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