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Basic information
- CAS
23892-52-6- Standard SMILES
CC(C)(C)c1ccc(CN2CCN(CCNCC(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
KVCHRSBJNYHOFA-UHFFFAOYSA-N- Molecular formula
- C31H41N3
- Average molar mass
- 455.7 g/mol
- Monoisotopic mass
- 455.33004832
Names & identifiers
- Preferred name
- Piperazine, 1-(p-tert-butylbenzyl)-4-(2-(1,2-diphenylethylamino)ethyl)-
- IUPAC
- N-[2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-2,2-diphenylethanamine
- English name
- 1-[p-(tert-Butyl)benzyl]-4-[2-[(1,2-diphenylethyl)amino]ethyl]piperazine
- Molecular formula
- C31H41N3
- Molecular weight
- 455.68
Names & synonyms
2'-(p-tert-Butylbenzyl)piperazinyl-1,2-diphenyldiethylamine23892-52-61-(p-tert-Butylbenzyl)-4-(2-(1,2-diphenylethylamino)ethyl)piperazineDiethylamine, 2'-(p-tert-butylbenzyl)piperazinyl-1,2-diphenyl-Piperazine, 1-(p-tert-butylbenzyl)-4-(2-(1,2-diphenylethylamino)ethyl)-RefChem:372530DTXSID50946686N-(2-{4-[(4-tert-Butylphenyl)methyl]piperazin-1-yl}ethyl)-2,2-diphenylethan-1-amine1-[p-(tert-Butyl)benzyl]-4-[2-[(1,2-diphenylethyl)amino]ethyl]piperazine1-Piperazineethanamine, 4-[[4-(1,1-dimethylethyl)phenyl]methyl]-N-(1,2-diphenylethyl)-
Database identifiers
- CAS
23892-52-6- PubChem CID
- 90293
- DTXSID
DTXSID50946686
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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