(R)-1,4-Benzodioxan-2-carboxypiperazine
Basic information
- CAS
860173-98-4- Standard SMILES
O=C([C@H]1COc2ccccc2O1)N1CCNCC1- InChIKey
FLUPDJNTYCSBJZ-GFCCVEGCSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Names & identifiers
- Preferred name
- (R)-1,4-Benzodioxan-2-carboxypiperazine
- IUPAC
- [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone
- English name
- (R)-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone
- Molecular formula
- C13H16N2O3
- Molecular weight
- 248.28
Names & synonyms
860173-98-4(R)-1,4-Benzodioxan-2-carboxypiperazine(r)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanoneMFCD06796578[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone(r)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanoneFP3BW44LSZDTXSID80351047AKOS027327661AS-373861,4-Benzodioxan-2-carboxypiperazine, (R)-CS-0171461
Show more names
REF DUPL: (R)-1,4-Benzodioxan-2-carboxypiperazine
F034406N-1,4-benzodioxane-2-carbonyl piperazine, (R)-(r)-(2,3-dihydrobenzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone[(2R)-2,3-Dihydro-1,4-benzodioxin-2-yl](piperazin-1-yl)methanone[(2R)-2,3-Dihydro-1,4-benzodioxin-2-yl]-1-piperazinylmethanone[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-yl-methanonePiperazine, 1-[[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl]-METHANONE, [(2R)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-
Database identifiers
- CAS
860173-98-4- PubChem CID
- 689093
- DTXSID
DTXSID80351047- UNII
- FP3BW44LSZ
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
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