Basic information
- CAS
57263-18-0- Standard SMILES
CC(C)Cc1ccc(C2(O)C(C)(C)C(N3CCN(c4ccccn4)CC3)C2(C)C)cc1- InChIKey
HKLGLJWHDDAUMZ-UHFFFAOYSA-N- Molecular formula
- C27H39N3O
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.30931288
Names & identifiers
- Preferred name
- 2,2,4,4-Tetramethyl-1-(4-(2-methylpropyl)phenyl)-3-(4-(pyridin-2-yl)piperazin-1-yl)cyclobutan-1-ol
- IUPAC
- 2,2,4,4-tetramethyl-1-[4-(2-methylpropyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
Names & synonyms
DTXSID609727542,2,4,4-Tetramethyl-1-(4-(2-methylpropyl)phenyl)-3-(4-(pyridin-2-yl)piperazin-1-yl)cyclobutan-1-ol2,2,4,4-Tetramethyl-1-[4-(2-methylpropyl)phenyl]-3-[4-(pyridin-2-yl)piperazin-1-yl]cyclobutan-1-olRefChem:1059002DTXCID10140022057263-18-0cis-(+-)-1-(4-(2-Methylpropyl)phenyl)-3-(4-(2-pyridinyl)-1-piperazinyl)cyclobutanolcis-D,L-1-(4-Butyl-(2)-phenyl)-2,2,4,4-tetramethyl-3-(4-(pyridyl-2)-piperazinyl)-Cyclobutanol, 1-(4-(2-methylpropyl)phenyl)-3-(4-(2-pyridinyl)-1-piperazinyl)-, cis-(+-)-SCHEMBL11773188SCHEMBL11776055
Database identifiers
- CAS
57263-18-0- PubChem CID
- 3044444
- DTXSID
DTXSID60972754
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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