904815-65-2
TERT-BUTYL 4-[2-HYDROXY-2-(4-METHOXYPHENYL)ETHYL]PIPERAZINE-1-CARBOXYLATE
NameTERT-BUTYL 4-[2-HYDROXY-2-(4-METHOXYPHENYL)ETHYL]PIPERAZINE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-[2-HYDROXY-2-(4-METHOXYPHENYL)ETHYL]PIPERAZINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD06245550
【English Synonyms】
【Formula】
C18 H28 N2 O4
【MolWeight】
336.429
【Inchi】
InChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20-11-9-19(10-12-20)13-16(21)14-5-7-15(23-4)8-6-14/h5-8,16,21H,9-13H2,1-4H3
【InChIKey】
InChIKey=GACSXPSYHLPYQG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)CC(c2ccc(cc2)OC)O
【MOL File】
TERT-BUTYL 4-[2-HYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-[2-HYDROXY-2-(4-METHOXYPHENYL)ETHYL]PIPERAZINE-1-CARBOXYLATE.cml