7-methoxy-1-naphthylpiperazine   

GtoPdb Ligand ID: 6

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 50.86
Molecular weight 275.14
XLogP 2.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(OCC1OC1)NCC[Si]([Si](C)(C)C)(C)C
Isomeric SMILES O=C(OCC1OC1)NCC[Si]([Si](C)(C)C)(C)C
InChI InChI=1S/C11H25NO3Si2/c1-16(2,3)17(4,5)7-6-12-11(13)15-9-10-8-14-10/h10H,6-9H2,1-5H3,(H,12,13)
InChI Key RMYUPIFLALKWOD-UHFFFAOYSA-N
References
1. Jorand-Lebrun C, Pauwels PJ, Palmier C, Moret C, Chopin P, Perez M, Marien M, Halazy S. (1997)
5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine.
J. Med. Chem., 40 (24): 3974-8. [PMID:9397179]