Basic information
- CAS
5424-71-5- Standard SMILES
CCOC(=O)N1CCN(Cc2c(O)ccc3ccccc23)CC1- InChIKey
XNJNLZDHFVAXFI-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16304257
Names & identifiers
- Preferred name
- Ethyl 4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
- IUPAC
- ethyl 4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
Names & synonyms
ethyl 4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1-carboxylate5424-71-5MLS000737974Ethyl 4-((2-hydroxynaphthalen-1-yl)methyl)piperazine-1-carboxylateHMS2885B09NSC12262CHEMBL1568920DTXSID10279321NSC-12262AKOS030599915EBC-559180SMR000528114
Show more names
Z44112477
Database identifiers
- CAS
5424-71-5- PubChem CID
- 224037
- DTXSID
DTXSID10279321- ChEMBL
CHEMBL1568920
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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