1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine - CAS 157327-41-8
Catalog: |
BB011309 |
Product Name: |
1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine |
CAS: |
157327-41-8 |
Synonyms: |
(3Z)-3-(dimethylaminomethylidene)-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopiperidine-1-carboxylate |
Description: | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine (CAS# 157327-41-8) is a useful research chemical. |
Molecular Weight: | 254.33 |
Molecular Formula: | C13H22N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=O)C(=CN(C)C)C1 |
InChI: | InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3/b10-8- |
InChI Key: | YUSMZDVTEOAHDL-NTMALXAHSA-N |
Boiling Point: | 357.9 °C at 760 mmHg |
Density: | 1.144 g/cm3 |
MDL: | MFCD08443986 |
LogP: | 1.57970 |
Publication Number | Title | Priority Date |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2021032323-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
US-2019336609-A1 | C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors | 20180501 |
WO-2019212990-A1 | C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors | 20180501 |
WO-2019212991-A1 | C26-linked rapamycin analogs as mtor inhibitors | 20180501 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 254.16304257 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.16304257 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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