Basic information
- CAS
85868-45-7- Standard SMILES
Nc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1- InChIKey
XXUFGPBRVNJCJM-UHFFFAOYSA-N- Molecular formula
- C19H25N3O
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.19976243
Names & identifiers
- Preferred name
- Benzenamine, 3-(3-(4-phenyl-1-piperazinyl)propoxy)-
- IUPAC
- 3-[3-(4-phenylpiperazin-1-yl)propoxy]aniline
Names & synonyms
BRN 4265912BENZENAMINE, 3-(3-(4-PHENYL-1-PIPERAZINYL)PROPOXY)-3-(3-(4-Phenyl-1-piperazinyl)propoxy)benzenamine85868-45-7DTXSID20235150RefChem:322812DTXCID20157641CHEMBL444503-[3-(4-phenylpiperazin-1-yl)propoxy]anilineBDBM50227607
Database identifiers
- CAS
85868-45-7- PubChem CID
- 55413
- DTXSID
DTXSID20235150- ChEMBL
CHEMBL44450- Nikkaji
- J360.818B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…