Basic information
- CAS
6854-34-8- Standard SMILES
O=C(c1ccc(O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1- InChIKey
PWGYQAKWWGZAIV-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- Phenol, 4-(4-piperonylpiperazin-1-ylcarbonyl)-
- IUPAC
- [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
Names & synonyms
Phenol, 4-(4-piperonylpiperazin-1-ylcarbonyl)-6854-34-8DTXSID90218657RefChem:1094912DTXCID40141148BRN 09003411-(4-Hydroxybenzoyl)-4-piperonylpiperazine4-(4-Piperonylpiperazin-1-ylcarbonyl)phenol{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}(4-hydroxyphenyl)methanone
Database identifiers
- CAS
6854-34-8- PubChem CID
- 201803
- DTXSID
DTXSID90218657- Nikkaji
- J86.636I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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