808732-99-2
(+)-(3R,4S)-3-FLUORO-4-(PYRIMIDIN-2-YLAMINOMETHYL)-PIPERIDINE-1-CARBOXYLIC ACID 4-METHYL-BENZYL ESTER CIS-(+)-ISOMER
Name
(+)-(3R,4S)-3-FLUORO-4-(PYRIMIDIN-2-YLAMINOMETHYL)-PIPERIDINE-1-CARBOXYLIC ACID 4-METHYL-BENZYL ESTER CIS-(+)-ISOMER
Formula
C19H23FN4O2
MolWeight
358.415
1Identification
【Name】
(+)-(3R,4S)-3-FLUORO-4-(PYRIMIDIN-2-YLAMINOMETHYL)-PIPERIDINE-1-CARBOXYLIC ACID 4-METHYL-BENZYL ESTER CIS-(+)-ISOMER
【CAS】
【MDL】
MFCD14635205
【English Synonyms】
【Formula】
C19H23FN4O2
【MolWeight】
358.415
【Inchi】
InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m0/s1
【InChIKey】
InChIKey=RECBFDWSXWAXHY-IRXDYDNUSA-N
【SMILES】
CC1=CC=C(COC(=O)N2CC[C@@H](CNC3=NC=CC=N3)[C@@H](F)C2)C=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.8607
Bulk/Fine:F