144734-36-1
4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)PIPERIDINE OXALATE
Name4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)PIPERIDINE OXALATE
FormulaC22 H26 F N O . C2 H2 O4
1Identification
【Name】
4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)PIPERIDINE OXALATE
【CAS】
【MDL】
MFCD00673877
【English Synonyms】
【Formula】
C22 H26 F N O . C2 H2 O4
【MolWeight】
429.485
【Inchi】
InChI=1S/C22H26FNO.C2H2O4/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-3,6-7,9-12,20H,4-5,8,13-17H2;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=VUJYJCRJPFMHEM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CCCCN2CCC(CC2)C(=O)c3ccc(cc3)F.C(=O)(C(=O)O)O
【MOL File】
4-(4-FLUOROBENZOYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-FLUOROBENZOYL)-1-(4-PHENYLBUTYL)PIPERIDINE OXALATE.cml