Tert-butyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(2-hydroxyethyl)piperazine-1-carboxylate
Basic information
- Standard SMILES
Cc1c(C(O)CN2CCN(C(=O)OC(C)(C)C)CC2CCO)ccc(F)c1C#N- InChIKey
ZXNDSGMYJFAPSA-UHFFFAOYSA-N- Molecular formula
- C21H30FN3O4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.22203461
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(2-hydroxyethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl]-3-(2-hydroxyethyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL15018276ZXNDSGMYJFAPSA-UHFFFAOYSA-Ntert-butyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(2-hydroxyethyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 89619232
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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