939986-19-3
4-(3-CYANO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(3-CYANO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(3-CYANO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607531
【English Synonyms】
【Formula】
C16 H22 N4 O2
【MolWeight】
302.376
【Inchi】
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-9-6-13(7-10-20)19-14-12(11-17)5-4-8-18-14/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=RYTZWPNWHPRLDP-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cccn2)C#N
【MOL File】
4-(3-CYANO-PYRIDIN-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-CYANO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml