CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 138.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
|---|---|
| Kovats Retention Index | 1516.1 |
COMPUTED DESCRIPTORS
| Molecular Weight | 176.26 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 176.131348519 g/mol |
| Monoisotopic Mass | 176.131348519 g/mol |
| Topological Polar Surface Area | 15.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 135 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-benzylpiperazine is a tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug. It has a role as a xenobiotic, an environmental contaminant, a psychotropic drug and a serotonergic agonist.