2-(4-Boc-1-piperazinyl)-4,6-dimethoxy-1,3,5-triazine - CAS 948825-19-2
Catalog: |
BB041576 |
Product Name: |
2-(4-Boc-1-piperazinyl)-4,6-dimethoxy-1,3,5-triazine |
CAS: |
948825-19-2 |
Synonyms: |
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate |
Description: | 2-(4-Boc-1-piperazinyl)-4,6-dimethoxy-1,3,5-triazine (CAS# 948825-19-2) is a useful research chemical compound. |
Molecular Weight: | 325.36 |
Molecular Formula: | C14H23N5O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)OC)OC |
InChI: | InChI=1S/C14H23N5O4/c1-14(2,3)23-13(20)19-8-6-18(7-9-19)10-15-11(21-4)17-12(16-10)22-5/h6-9H2,1-5H3 |
InChI Key: | XIJUUEQYWUUYKD-UHFFFAOYSA-N |
MDL: | MFCD09787486 |
LogP: | 0.94880 |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.17500423 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.17500423 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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