Methyl 2-(1-Boc-2-piperazinyl)acetate - CAS 183852-65-5
Catalog: |
BB014101 |
Product Name: |
Methyl 2-(1-Boc-2-piperazinyl)acetate |
CAS: |
183852-65-5 |
Synonyms: |
2-(2-methoxy-2-oxoethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate |
Description: | Methyl 2-(1-Boc-2-piperazinyl)acetate (CAS# 183852-65-5 ) is a useful research chemical. |
Molecular Weight: | 258.31 |
Molecular Formula: | C12H22N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1CC(=O)OC |
InChI: | InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-8-9(14)7-10(15)17-4/h9,13H,5-8H2,1-4H3 |
InChI Key: | XFNONNLAJOFYHF-UHFFFAOYSA-N |
Boiling Point: | 336.2 °C at 760 mmHg |
Density: | 1.084 g/cm3 |
LogP: | 1.02510 |
Publication Number | Title | Priority Date |
US-2021154179-A1 | Substituted pyridines and methods of use | 20191122 |
WO-2021102468-A1 | Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors | 20191122 |
US-2020188370-A1 | Alk5 inhibitors | 20181211 |
WO-2020123453-A2 | Alk5 inhibitors | 20181211 |
TW-202039459-A | Alk5 inhibitors | 20181211 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.15795719 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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