Basic information
- CAS
6602-00-2- Standard SMILES
Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1- InChIKey
QLEJIPPPJVEACG-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- (4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(p-tolyl)methanone
- IUPAC
- [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
Names & synonyms
349613-67-8(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(p-tolyl)methanone6602-00-2[4-(1,3-benzodioxol-5-ylmethyl)piperazino](4-methylphenyl)methanone{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methylphenyl)methanoneMaybridge2_000745[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanoneMixCom4_000110Oprea1_191111Oprea1_835403SCHEMBL94838F1318-0129
Show more names
SCHEMBL8925693DTXSID10984483CCG-44255STK062829AKOS000646872IDI1_001854ST50699414AP-263/12975223
Database identifiers
- CAS
6602-00-2- PubChem CID
- 723014
- DTXSID
DTXSID10984483
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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