Molecule

4-(2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1,3-thiazol-4-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-ol

AlkaPlorer ID: AK233404

Synonym: None

IUPAC Name: 4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

Structure

SMILES: OC1(C2=CSC(CN3CCN(C4=CC=CC=N4)CC3)=N2)CCN(CC2=CC=CC=C2C(F)(F)F)CC1

InChI: InChI=1S/C26H30F3N5OS/c27-26(28,29)21-6-2-1-5-20(21)17-32-11-8-25(35,9-12-32)22-19-36-24(31-22)18-33-13-15-34(16-14-33)23-7-3-4-10-30-23/h1-7,10,19,35H,8-9,11-18H2

InChIKey: XEKXGNNKJLFLLC-UHFFFAOYSA-N

Reference

Chemical and biological characterisation of solvent extracts and essential oils from leaves and fruit of two Australian species of Pittosporum (Pittosporaceae) used in aboriginal medicinal practice

PubChem CID: 100628065

COCONUT: CNP0007501

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 517.6210000000003

TPSA？: 55.73

MolLogP？: 4.362700000000004

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi