Basic information
- Standard SMILES
O=C1NCCN1C1CCN(CCC2COc3ccccc3O2)CC1- InChIKey
CDFTVVPIMLXJRX-UHFFFAOYSA-N- Molecular formula
- C18H25N3O3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.18959167
Names & identifiers
- Preferred name
- 1-[1-[2-(1,4-Benzodioxan-2-yl)-ethyl]-4-piperidyl]-2-imidazolidinone
- IUPAC
- 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]piperidin-4-yl]imidazolidin-2-one
Names & synonyms
SCHEMBL11222377CDFTVVPIMLXJRX-UHFFFAOYSA-N1-[1-[2-(1,4-benzodioxan-2-yl)-ethyl]-4-piperidyl]-2-imidazolidinone
Database identifiers
- PubChem CID
- 12850587
- Nikkaji
- J22.772B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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