939986-21-7
3-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607533
【English Synonyms】
【Formula】
C17 H24 N4 O2
【MolWeight】
316.403
【Inchi】
InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-9-5-6-13(12-21)11-20-15-14(10-18)7-4-8-19-15/h4,7-8,13H,5-6,9,11-12H2,1-3H3,(H,19,20)
【InChIKey】
InChIKey=UXAHHDGGLPMNHU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCC(C1)CNc2c(cccn2)C#N
【MOL File】
3-[(3-CYANO-PYRIDIN-….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
3-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml