885274-54-4
1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-PIPERAZINE
Name1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-PIPERAZINE
1Identification
【Name】
1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-PIPERAZINE
【CAS】
【MDL】
MFCD04115152
【English Synonyms】
【Formula】
C16 H23 N3 O4
【MolWeight】
321.375
【Inchi】
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-10-8-18(9-11-19)13(14(20)21)12-4-6-17-7-5-12/h4-7,13H,8-11H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=DNCDPOMEHCNKSV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)C(c2ccncc2)C(=O)O
【MOL File】
1-BOC-4-(CARBOXY-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-PIPERAZINE.cml