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884507-31-7 | 1-Piperazinecarboxylicacid, 4-(4-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 884507-31-7 Catalog No: AG004EIA MDL No:MFCD08741437
Product Description
Catalog Number:
AG004EIA
Chemical Name:
1-Piperazinecarboxylicacid, 4-(4-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
884507-31-7
Molecular Formula:
C15H20N4O2
Molecular Weight:
288.3449
MDL Number:
MFCD08741437
IUPAC Name:
tert-butyl 4-(4-cyanopyridin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-10-12(11-16)4-5-17-13/h4-5,10H,6-9H2,1-3H3
InChI Key:
SLBLBTKJSGRVTR-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.351g/mol
Monoisotopic Mass:
288.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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