Basic information
- CAS
2089-46-5- Standard SMILES
Br.Br.CC(C)(c1ccccc1)c1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1- InChIKey
OEPQVKRTPFTHNA-UHFFFAOYSA-N- Molecular formula
- C27H40Br2N2O
- Average molar mass
- 568.4 g/mol
- Monoisotopic mass
- 566.15074
Names & identifiers
- Preferred name
- 4-(1-Methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)phenol dihydrobromide
- IUPAC
- 4-(2-phenylpropan-2-yl)-2,6-bis(piperidin-1-ylmethyl)phenol;dihydrobromide
Names & synonyms
PS7EW7N6ECRo-2-58034-(1-Methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)phenol dihydrobromideRefChem:10697232089-46-52,6-Bis(1-piperidylmethyl)-4-(alpha,alpha-dimethylbenzyl)phenol dihydrobromideRo 2-58032,6-Xylenol, 4-(alpha,alpha-dimethylbenzyl)-alpha,alpha'-dipiperidino-, dihydrobromideNSC-378554-(2-phenylpropan-2-yl)-2,6-bis(piperidin-1-ylmethyl)phenol dihydrobromideNSC 37855SCHEMBL31047599
Show more names
DTXSID8013503412,6-Xylenol, 4-alpha,alpha-dimethylbenzyl-alpha,alpha'-dipiperidino-, dihydrobromide4-(1-Methyl-1-phenylethyl)-2,6-bis-(1-piperidinylmethyl)phenol dihydrobromide4-alpha,alpha-Dimethylbenzyl-alpha,alpha'-dipiperidino-2,6-xylenol dihydrobromidePhenol, 2,6-bis(piperidinomethyl)-4-(alpha,alpha-dimethylbenzyl)-, dihydrobromidePhenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, dihydrobromidePhenol, 4-(1-methyl-1-phenylethyl)-2,6-bis(1-piperidinylmethyl)-, hydrobromide (1:2)
Database identifiers
- CAS
2089-46-5- PubChem CID
- 74972
- DTXSID
DTXSID801350341
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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