939986-22-8
4-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607534
【English Synonyms】
【Formula】
C17 H24 N4 O2
【MolWeight】
316.403
【Inchi】
InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-9-6-13(7-10-21)12-20-15-14(11-18)5-4-8-19-15/h4-5,8,13H,6-7,9-10,12H2,1-3H3,(H,19,20)
【InChIKey】
InChIKey=QLTQRIVWUGHONV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)CNc2c(cccn2)C#N
【MOL File】
4-[(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
4-[(3-CYANO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml