Basic information
- CAS
6116-61-6- Standard SMILES
CCc1ccc(CN2CCN(Cc3cc(OC)ccc3O)CC2)cc1- InChIKey
BOTPDNCAIAJUID-UHFFFAOYSA-N- Molecular formula
- C21H28N2O2
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.21507814
Names & identifiers
- Preferred name
- 2-({4-[(4-Ethylphenyl)methyl]piperazin-1-YL}methyl)-4-methoxyphenol
- IUPAC
- 2-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
Names & synonyms
6116-61-62-{[4-(4-ethylbenzyl)-1-piperazinyl]methyl}-4-methoxyphenol2-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol2-({4-[(4-ETHYLPHENYL)METHYL]PIPERAZIN-1-YL}METHYL)-4-METHOXYPHENOLCBMicro_010496Oprea1_731043Oprea1_744465DTXSID20976672SMSF0014386CB13482BIM-0010397.P001
Database identifiers
- CAS
6116-61-6- PubChem CID
- 773095
- DTXSID
DTXSID20976672
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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