Basic information
- CAS
50419-21-1- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(Cc2ccc3c(c2)OCO3)CC1- InChIKey
DVJCPEWCHQLAEH-CFZNNVJVSA-N- Molecular formula
- C27H40N2O2
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.30897852
Names & identifiers
- Preferred name
- Piperazine, 1-piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (Z,E)-
- IUPAC
- 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
Names & synonyms
Piperazine, 1-piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (Z,E)-50419-21-1RefChem:1096048(Z,E)-1-Piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-piperazine(Z,E)-1-(1,3-Benzodioxol-5-ylmethyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)piperazinePiperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (Z,E)-
Database identifiers
- CAS
50419-21-1- PubChem CID
- 6445847
- Nikkaji
- J153.500E
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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