Basic information
- CAS
55827-51-5- Standard SMILES
c1cc2c(cc1N1CCNCC1)OCO2- InChIKey
QNCWKECHSBDMPF-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)piperazine
- IUPAC
- 1-(1,3-benzodioxol-5-yl)piperazine
- English name
- 1-(1,3-benzodioxol-5-yl)piperazine
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
1-(1,3-Benzodioxol-5-yl)piperazine55827-51-5EINECS 259-842-4DTXSID70204417RefChem:73874DTXCID70126908259-842-41-(BENZO[D][1,3]DIOXOL-5-YL)PIPERAZINE1-(3,4-Methylenedioxyphenyl)piperazine1-(2H-1,3-BENZODIOXOL-5-YL)PIPERAZINE4-(3,4-methylenedioxyphenyl)piperazineCHEMBL128983
Show more names
MFCD00127941Piperazine, 1-(1,3-benzodioxol-5-yl)-M4SN5SX6NSOprea1_509700SCHEMBL254552SCHEMBL2200620CHEMBL11805221-(1,3-dioxaindan-5-yl)piperazine
Database identifiers
- CAS
55827-51-5- PubChem CID
- 4742003
- DTXSID
DTXSID70204417- ChEMBL
CHEMBL1180522、CHEMBL128983- UNII
- M4SN5SX6NS
- EC Number
- 259-842-4
- Nikkaji
- J296.512G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Chemistry & industry
Suppliers2 total
天津凯利奇生物科技有限公司15076683720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Compound notes
Loading…