Basic information
- CAS
93101-48-5- Standard SMILES
CC1=C(COC(=O)C(O)(c2ccccc2)C2CCCC2)CN(C)CC1- InChIKey
QGDNFGBHPJPVAY-UHFFFAOYSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- (1,4-Dimethyl-1,2,5,6-tetrahydropyridin-3-yl)methyl cyclopentyl(hydroxy)phenylacetate
- IUPAC
- (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
93101-48-5DTXSID80918710(1,4-dimethyl-1,2,5,6-tetrahydropyridin-3-yl)methyl cyclopentyl(hydroxy)phenylacetateRefChem:1049225DTXCID901347656Mandelic acid, alpha-cyclopentyl-, 1,4-dimethyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester3-(1,3-Dimethyl-1,2,5,6-tetrahydropyridine)methyl-alpha-cyclopentyl alpha-phenylglycolate(1,4-Dimethyl-1,2,5,6-tetrahydropyridin-3-yl)methyl cyclopentyl(hydroxy)(phenyl)acetate
Database identifiers
- CAS
93101-48-5- PubChem CID
- 56545
- DTXSID
DTXSID80918710- Nikkaji
- J147.691B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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