Basic information
- CAS
199468-12-7- Standard SMILES
Cc1cc(CN2CCNCC2)cc(C(C)(C)C)c1O- InChIKey
OSKZAKXJPOTOJD-UHFFFAOYSA-N- Molecular formula
- C16H26N2O
- Average molar mass
- 262.39 g/mol
- Monoisotopic mass
- 262.20451345
Names & identifiers
- Preferred name
- 2-(1,1-Dimethylethyl)-6-methyl-4-(1-piperazinylmethyl)phenol
- IUPAC
- 2-tert-butyl-6-methyl-4-(piperazin-1-ylmethyl)phenol
Names & synonyms
SCHEMBL7097900OSKZAKXJPOTOJD-UHFFFAOYSA-NDTXSID2011838112-(1,1-Dimethylethyl)-6-methyl-4-(1-piperazinylmethyl)phenol199468-12-72-tert-Butyl-6-methyl-4-[(piperazin-1-yl)methyl]phenol1-(3-(1,1-dimethylethyl)-4-hydroxy-5-methylphenyl)methylpiperazine
Database identifiers
- CAS
199468-12-7- PubChem CID
- 21997790
- DTXSID
DTXSID201183811
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
1 records
Compound notes
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