Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCC(CN2CCN(c3cccc4c3CCC4)CC2)CC1- InChIKey
PSBIRXDCHCFCGA-UHFFFAOYSA-N- Molecular formula
- C25H39N3O2
- Average molar mass
- 413.6 g/mol
Names & identifiers
- Preferred name
- Trans-4-{4-(indan-4-yl)-piperazin-1-yl-methyl}-cyclohexyl-carbamic acid tert-butylester
- IUPAC
- tert-butyl N-[4-[[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]methyl]cyclohexyl]carbamate
Names & synonyms
SCHEMBL3284386SCHEMBL3284390PSBIRXDCHCFCGA-XUTJKUGGSA-NTrans-4-{4-(indan-4-yl)-piperazin-1-yl-methyl}-cyclohexyl-carbamic acid tert-butylester
Database identifiers
- PubChem CID
- 68580879
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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