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1289388-31-3 | 1-Piperidinecarboxylic acid, 4-[methyl[1-(2-pyrazinyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1289388-31-3 Catalog No: AG000YO8 MDL No:
Product Description
Catalog Number:
AG000YO8
Chemical Name:
1-Piperidinecarboxylic acid, 4-[methyl[1-(2-pyrazinyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1289388-31-3
Molecular Formula:
C17H28N4O2
Molecular Weight:
320.4298
IUPAC Name:
tert-butyl 4-[methyl(1-pyrazin-2-ylethyl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H28N4O2/c1-13(15-12-18-8-9-19-15)20(5)14-6-10-21(11-7-14)16(22)23-17(2,3)4/h8-9,12-14H,6-7,10-11H2,1-5H3
InChI Key:
KMIPOVWNURJNBE-UHFFFAOYSA-N
SMILES:
CC(c1nccnc1)N(C1CCN(CC1)C(=O)OC(C)(C)C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.221g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.437g/mol
Monoisotopic Mass:
320.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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