101711-09-5
1-METHYL-4-PIPERIDYL PHENYL(3-METHYL-1-PENTYNYL)GLYCOLATE
Name1-METHYL-4-PIPERIDYL PHENYL(3-METHYL-1-PENTYNYL)GLYCOLATE
1Identification
【Name】
1-METHYL-4-PIPERIDYL PHENYL(3-METHYL-1-PENTYNYL)GLYCOLATE
【CAS】
【MDL】
MFCD01715852
【English Synonyms】
【Formula】
C20 H27 N O3
【MolWeight】
329.437
【Inchi】
InChI=1S/C20H27NO3/c1-4-16(2)10-13-20(23,17-8-6-5-7-9-17)19(22)24-18-11-14-21(3)15-12-18/h5-9,16,18,23H,4,11-12,14-15H2,1-3H3
【InChIKey】
InChIKey=HDUXUOVCPBZSCM-UHFFFAOYSA-N
【SMILES】
CCC(C)C#CC(c1ccccc1)(C(=O)OC2CCN(CC2)C)O
【MOL File】
1-METHYL-4-PIPERIDYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-PIPERIDYL PHENYL(3-METHYL-1-PENTYNYL)GLYCOLATE.cml