Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 319 | |
|---|---|---|
| Name: | BBCPD22 | |
| Description: | Systematic name: 3-(3-(1-Piperidinylmethyl)phenoxy)-1-propanol | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C15H23NO2/c17-10-5-11-18-15-7-4-6-14(12-15)13-16-8-2-1-3-9-16/h4,6-7,12,17H,1-3,5,8-11,13H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.02 |
experimental value |
| 0.213 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.2211 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |