Basic information
- CAS
224450-44-6- Standard SMILES
Cc1cc(OC[C@@H](O)CN2CCN(c3ccc(Cc4ccc(F)cc4)cc3)CC2)c(C)c(C)c1N- InChIKey
BNGQNTZNOYCZSU-MHZLTWQESA-N- Molecular formula
- C29H36FN3O2
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.27915556
Names & identifiers
- Preferred name
- Sun N8075 free base
- IUPAC
- (2S)-1-(4-amino-2,3,5-trimethylphenoxy)-3-[4-[4-[(4-fluorophenyl)methyl]phenyl]piperazin-1-yl]propan-2-ol
Names & synonyms
Sun N8075 free base6X94HP0IIMUNII-6X94HP0IIM224450-44-6CHEMBL325689(alphaS)-alpha-((4-Amino-2,3,5-trimethylphenoxy)methyl)-4-(4-((4-fluorophenyl)methyl)phenyl)-1-piperazineethanol1-Piperazineethanol, alpha-((4-amino-2,3,5-trimethylphenoxy)methyl)-4-(4-((4-fluorophenyl)methyl)phenyl)-, (alphaS)-SCHEMBL3042761CHEMBL1183958BDBM50091591(.ALPHA.S)-.ALPHA.-((4-AMINO-2,3,5-TRIMETHYLPHENOXY)METHYL)-4-(4-((4-FLUOROPHENYL)METHYL)PHENYL)-1-PIPERAZINEETHANOL(2S)-1-(4-amino-2,3,5-trimethylphenoxy)-3-{4-[4-(4-flourobenzyl)phenyl]-1-piperazinyl}-2-propanol dimethanesulfonate(SUN N8075)
Show more names
1-PIPERAZINEETHANOL, .ALPHA.-((4-AMINO-2,3,5-TRIMETHYLPHENOXY)METHYL)-4-(4-((4-FLUOROPHENYL)METHYL)PHENYL)-, (.ALPHA.S)-
Database identifiers
- CAS
224450-44-6- PubChem CID
- 9852814
- ChEMBL
CHEMBL1183958、CHEMBL325689
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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