887344-19-6
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-4-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
Name1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-4-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-4-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04117730
【English Synonyms】
【Formula】
C17 H24 N2 O4
【MolWeight】
320.387
【Inchi】
InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)19-10-4-7-17(12-19,14(20)21)11-13-5-8-18-9-6-13/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=JIPBPJZISZCBJQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCC(C1)(Cc2ccncc2)C(=O)O
【MOL File】
1-[(TERT-BUTYL)OXYCA….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
1-[(TERT-BUTYL)OXYCARBONYL]-3-PYRIDIN-4-YLMETHYLPIPERIDINE-3-CARBOXYLIC ACID.cml