935534-10-4
(S)-TERT-BUTYL 4-(4-BENZYL-2-METHYLPIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXYLATE
Name(S)-TERT-BUTYL 4-(4-BENZYL-2-METHYLPIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXYLATE
1Identification
【Name】
(S)-TERT-BUTYL 4-(4-BENZYL-2-METHYLPIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD09264170
【English Synonyms】
【Formula】
C23 H35 N3 O3
【MolWeight】
401.547
【Inchi】
InChI=1S/C23H35N3O3/c1-18-16-24(17-19-8-6-5-7-9-19)14-15-26(18)21(27)20-10-12-25(13-11-20)22(28)29-23(2,3)4/h5-9,18,20H,10-17H2,1-4H3/t18-/m0/s1
【InChIKey】
InChIKey=NTRYNLVBHOUEEK-SFHVURJKSA-N
【SMILES】
C[C@H]1CN(CCN1C(=O)C2CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3
【MOL File】
(S)-TERT-BUTYL 4-(4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-TERT-BUTYL 4-(4-BENZYL-2-METHYLPIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXYLATE.cml