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147539-20-6 | 1-Piperazinecarboxylic acid, 4-[3-(propylamino)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 147539-20-6 Catalog No: AG001EZA MDL No:
Product Description
Catalog Number:
AG001EZA
Chemical Name:
1-Piperazinecarboxylic acid, 4-[3-(propylamino)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
147539-20-6
Molecular Formula:
C17H28N4O2
Molecular Weight:
320.4298
IUPAC Name:
tert-butyl 4-[3-(propylamino)pyridin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H28N4O2/c1-5-8-18-14-7-6-9-19-15(14)20-10-12-21(13-11-20)16(22)23-17(2,3)4/h6-7,9,18H,5,8,10-13H2,1-4H3
InChI Key:
AHEHSSRHLXDEAI-UHFFFAOYSA-N
SMILES:
CCCNc1cccnc1N1CCN(CC1)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:
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:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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