Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
Basic information
- CAS
59215-20-2- Standard SMILES
c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1- InChIKey
CEGRWSXQLTVGKZ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2
- Average molar mass
- 297.35 g/mol
- Monoisotopic mass
- 297.14772686
Names & identifiers
- Preferred name
- Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
- IUPAC
- 1-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-2-ylpiperazine
- English name
- 1-(3,4-Methylenedioxybenzyl)-4-(2-pyridyl)piperazine
- Molecular formula
- C17H19N3O2
- Molecular weight
- 297.35
Names & synonyms
1-(3,4-Methylenedioxybenzyl)-4-(2-pyridyl)piperazine59215-20-2BRN 0563047Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-5-23-03-00045 (Beilstein Handbook Reference)RefChem:3721421-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-2-ylpiperazine1-(1,3-benzodioxol-5-ylmethyl)-4-(2-pyridinyl)piperazineCambridge id 5257797Oprea1_410752MLS001180858SCHEMBL8879725
Show more names
Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-pyridinyl)-
CHEMBL1723874DTXSID30974644CEGRWSXQLTVGKZ-UHFFFAOYSA-NHMS2788M221-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-(pyridin-2-yl)piperazineSMR000476326DB-353906AB00077026-01
Database identifiers
- CAS
59215-20-2- PubChem CID
- 100984
- DTXSID
DTXSID30974644- ChEMBL
CHEMBL1723874- Nikkaji
- J77.280A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility32.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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