trivial
AD-1211
systemic
1-(3-Methyl-2-butenyl)-4-[(1'R')-1-phenyl-2-(3-hydroxyphenyl)ethyl]piperazine
AD-1211
systemic
1-(3-Methyl-2-butenyl)-4-[(1'R')-1-phenyl-2-(3-hydroxyphenyl)ethyl]piperazine
Identifiers
InChIKey: WLHCNEPBQJOHKW-UHFFFAOYSA-N
Formula: C23H30N2O
CAS Registry numbers:
83374-58-7
Descriptors
Bioavailability-related
Molecular weight: 350.24 DaPartition coefficient: 4.26
H bond donors: 1
H bond acceptors: 3
Rotatable bonds: 6
Molar refractivity: 108.44 J mol-1 K-1
Polar surface area: 26.71 Å2
Generic
Stereocenters: 1Heteroatoms: 3
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1