652971-19-2
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-
Name1,3-PIPERIDINEDICARBOXYLIC ACID, 4-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-
1Identification
【Name】
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-
【CAS】
【MDL】
MFCD15071842
【English Synonyms】
【Formula】
C17 H23 N O4
【MolWeight】
305.372
【Inchi】
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(14(11-18)15(19)20)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1
【InChIKey】
InChIKey=UHRXHCZPUWORFZ-KGLIPLIRSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)C(=O)O)c2ccccc2
【MOL File】
1,3-PIPERIDINEDICARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-PIPERIDINEDICARBOXYLIC ACID, 4-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-.cml