Basic information
- CAS
355822-95-6- Standard SMILES
COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccco2)CC1- InChIKey
UVTHODNKFZUXQI-UHFFFAOYSA-N- Molecular formula
- C19H26N2O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.18925731
Names & identifiers
- Preferred name
- 1-(Furan-2-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
- IUPAC
- 1-(furan-2-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
- English name
- 1-(2-furylmethyl)-4-(2,4,5-trimethoxybenzyl)piperazine
- Molecular formula
- C19H26N2O4
- Molecular weight
- 346.42
Names & synonyms
1-(furan-2-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine1-(2-furylmethyl)-4-(2,4,5-trimethoxybenzyl)piperazineOprea1_037532Oprea1_421800CHEMBL1740339STK145227AKOS000554205AB00100191-01AK-968/131502701-(furan-2-ylmethyl)-4-(2,4,5-trimethoxybenzyl)piperazine1-[(furan-2-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)355822-95-6
Show more names
Piperazine, 1-(2-furanylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-
Database identifiers
- CAS
355822-95-6- PubChem CID
- 771881
- ChEMBL
CHEMBL1740339
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 448.2 · 448.2±40.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 6.41 · 6.41±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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