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887579-20-6 | 1-Pyrrolidinecarboxylicacid, 3-[[3-(4-methyl-1-piperazinyl)propyl]amino]-, 1,1-dimethylethyl ester
CAS No: 887579-20-6 Catalog No: AG004EBJ MDL No:
Product Description
Catalog Number:
AG004EBJ
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[[3-(4-methyl-1-piperazinyl)propyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
887579-20-6
Molecular Formula:
C17H34N4O2
Molecular Weight:
326.4775
IUPAC Name:
tert-butyl 3-[3-(4-methylpiperazin-1-yl)propylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H34N4O2/c1-17(2,3)23-16(22)21-9-6-15(14-21)18-7-5-8-20-12-10-19(4)11-13-20/h15,18H,5-14H2,1-4H3
InChI Key:
ZWNIDRZIFNCKFJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCNC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.268g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.485g/mol
Monoisotopic Mass:
326.268g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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