Basic information
- CAS
53335-15-2- Standard SMILES
Cc1ccc(C(C)C)c(OCC(O)CN2CCN(CCO)CC2)c1C(=O)OC(C)C- InChIKey
HFJKKNWEJFPBRG-UHFFFAOYSA-N- Molecular formula
- C23H38N2O5
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.27807232
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, isopropyl ester
- IUPAC
- propan-2-yl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate
Names & synonyms
53335-15-2p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, isopropyl esterBRN 0575749DTXSID00967947propan-2-yl 2-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy}-6-methyl-3-(propan-2-yl)benzoate
Database identifiers
- CAS
53335-15-2- PubChem CID
- 40733
- DTXSID
DTXSID00967947- Nikkaji
- J85.307K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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