865111-90-6
7-(PIPERIDIN-4-YL)-3-BOC-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE
Name7-(PIPERIDIN-4-YL)-3-BOC-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE
1Identification
【Name】
7-(PIPERIDIN-4-YL)-3-BOC-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE
【CAS】
【MDL】
MFCD12408172
【English Synonyms】
【Formula】
C20 H30 N2 O2
【MolWeight】
330.469
【Inchi】
InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-12-8-15-4-5-17(14-18(15)9-13-22)16-6-10-21-11-7-16/h4-5,14,16,21H,6-13H2,1-3H3
【InChIKey】
InChIKey=XFNQBSLFTDDWJJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)C3CCNCC3
【MOL File】
7-(PIPERIDIN-4-YL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(PIPERIDIN-4-YL)-3-BOC-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE.cml