1068522-21-3
1,4-PIPERIDINEDICARBOXYLIC ACID, 3-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-
Name1,4-PIPERIDINEDICARBOXYLIC ACID, 3-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-
1Identification
【Name】
1,4-PIPERIDINEDICARBOXYLIC ACID, 3-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-
【CAS】
【MDL】
MFCD15071848
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H23 N O4
【pro_molWeight】
305.372
【Inchi】
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(15(19)20)14(11-18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14-/m0/s1
【InChIKey】
InChIKey=KHCTXOGRWQLHBK-KBPBESRZSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)c2ccccc2)C(=O)O
【MOL File】
1,4-PIPERIDINEDICARB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,4-PIPERIDINEDICARBOXYLIC ACID, 3-PHENYL-, 1-(1,1-DIMETHYLETHYL) ESTER, (3R,4S)-.cml