81402-38-2
Product Name:
1-Piperazinepropanol, 4-(3-(dimethylamino)-1-phenylpropyl)-, (Z)-2-but enedioate (1:3)
Formula:
C18H31N3O.3C4H4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 653.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 14 |
| Exact Mass | 653.27958843 g/mol |
| Monoisotopic Mass | 653.27958843 g/mol |
| Topological Polar Surface Area | 254 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 403 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |