Basic information
- CAS
16299-68-6- Standard SMILES
C1=COC2(N3CCN(c4ccccc4)CC3)CCCCC2C1- InChIKey
CYUSZIDJYHFRGG-UHFFFAOYSA-N- Molecular formula
- C19H26N2O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.20451346
Names & identifiers
- Preferred name
- 1-(4,4a,5,6,7,8-Hexahydrochromen-8a-yl)-4-phenylpiperazine
- IUPAC
- 1-(4,4a,5,6,7,8-hexahydrochromen-8a-yl)-4-phenylpiperazine
Names & synonyms
16299-68-61-(4,4a,5,6,7,8-hexahydrochromen-8a-yl)-4-phenylpiperazineNSC116948DTXSID80329342NSC-1169481-(4,4a,5,6,7,8-Hexahydro-8aH-1-benzopyran-8a-yl)-4-phenylpiperazine
Database identifiers
- CAS
16299-68-6- PubChem CID
- 419656
- DTXSID
DTXSID80329342
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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