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148546-91-2 | 1-Piperazinecarboxylic acid, 4-(5-amino-2-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 148546-91-2 Catalog No: AG001KZP MDL No:
Product Description
Catalog Number:
AG001KZP
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-amino-2-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
148546-91-2
Molecular Formula:
C16H25N3O3
Molecular Weight:
307.3880
IUPAC Name:
tert-butyl 4-(5-amino-2-methoxyphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-7-18(8-10-19)13-11-12(17)5-6-14(13)21-4/h5-6,11H,7-10,17H2,1-4H3
InChI Key:
FYFXFHWPEFYDKI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1CCN(CC1)C(=O)OC(C)(C)C)N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.394g/mol
Monoisotopic Mass:
307.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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