Basic information
- Standard SMILES
COC(=O)c1ccc(CN2CCN(CC(C)O)CC2)cc1- InChIKey
VPOJRMHRGMVMHL-UHFFFAOYSA-N- Molecular formula
- C16H24N2O3
- Average molar mass
- 292.37 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[1-(2-hydroxypropyl)-piperazin-4-ylmethyl]-benzoate
- IUPAC
- methyl 4-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoate
Names & synonyms
SCHEMBL10900938VPOJRMHRGMVMHL-UHFFFAOYSA-NMethyl 4-[1-(2-hydroxypropyl)-piperazin-4-ylmethyl]-benzoate
Database identifiers
- PubChem CID
- 54404285
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
2 records
Compound notes
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