Basic information
- CAS
93101-38-3- Standard SMILES
CN1CC=C(CCOC(=O)C(O)(c2ccccc2)C2CC2)CC1- InChIKey
YMGCPBDDLMWGDO-UHFFFAOYSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18344366
Names & identifiers
- Preferred name
- 2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl cyclopropyl(hydroxy)phenylacetate
- IUPAC
- 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
Names & synonyms
93101-38-3DTXSID009187122-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl cyclopropyl(hydroxy)phenylacetateRefChem:1060650DTXCID301347658Mandelic acid, alpha-cyclopropyl-, 2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)ethyl ester4-(1-Methyl-1,2,3,6-tetrahydropyridine)ethyl-alpha-cyclopropyl-alpha-phenylglycolate2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl cyclopropyl(hydroxy)(phenyl)acetate
Database identifiers
- CAS
93101-38-3- PubChem CID
- 56543
- DTXSID
DTXSID00918712- Nikkaji
- J147.696C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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