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1289388-16-4 | 1-Piperidinecarboxylic acid, 3-[[[1-(2-pyrazinyl)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289388-16-4 Catalog No: AG000YOD MDL No:
Product Description
Catalog Number:
AG000YOD
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[[1-(2-pyrazinyl)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289388-16-4
Molecular Formula:
C17H28N4O2
Molecular Weight:
320.4298
IUPAC Name:
tert-butyl 3-[(1-pyrazin-2-ylethylamino)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H28N4O2/c1-13(15-11-18-7-8-19-15)20-10-14-6-5-9-21(12-14)16(22)23-17(2,3)4/h7-8,11,13-14,20H,5-6,9-10,12H2,1-4H3
InChI Key:
KAWJOCDWQLGMAB-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)CNC(c1cnccn1)C)OC(C)(C)C
Properties
Complexity:
383
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:
1
Isotope Atom Count:
0
Molecular Weight:
320.437g/mol
Monoisotopic Mass:
320.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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