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1053656-96-4 | tert-Butyl 6-piperazin-1-ypyridine-2-carboxylate
CAS No: 1053656-96-4 Catalog No: AG01F9F3 MDL No:
Product Description
Catalog Number:
AG01F9F3
Chemical Name:
tert-Butyl 6-piperazin-1-ypyridine-2-carboxylate
CAS Number:
1053656-96-4
Molecular Formula:
C14H21N3O2
Molecular Weight:
263.3354
IUPAC Name:
tert-butyl 6-piperazin-1-ylpyridine-2-carboxylate
InChI:
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)11-5-4-6-12(16-11)17-9-7-15-8-10-17/h4-6,15H,7-10H2,1-3H3
InChI Key:
IWFGULANJYMPIT-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(n1)N1CCNCC1)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.341g/mol
Monoisotopic Mass:
263.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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