1-Boc-4-hydroxy-4-(nitromethyl)piperidine - CAS 819800-93-6
Catalog: |
BB036737 |
Product Name: |
1-Boc-4-hydroxy-4-(nitromethyl)piperidine |
CAS: |
819800-93-6 |
Synonyms: |
4-hydroxy-4-(nitromethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-hydroxy-4-(nitromethyl)piperidine (CAS# 819800-93-6) is a useful research chemical. |
Molecular Weight: | 260.29 |
Molecular Formula: | C11H20N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)(C[N+](=O)[O-])O |
InChI: | InChI=1S/C11H20N2O5/c1-10(2,3)18-9(14)12-6-4-11(15,5-7-12)8-13(16)17/h15H,4-8H2,1-3H3 |
InChI Key: | AJNCHUMJVPZDCG-UHFFFAOYSA-N |
LogP: | 1.48620 |
Publication Number | Title | Priority Date |
WO-2021113368-A1 | Sstr5 antagonists | 20191203 |
WO-2018213422-A1 | Compounds and uses thereof | 20170517 |
WO-2018187614-A1 | Compounds and uses thereof | 20170405 |
CA-3005097-A1 | Compounds and methods for treating synovial sarcomas | 20151116 |
EP-3377499-A1 | Compounds and methods for treating synovial sarcomas | 20151116 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.13722174 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.13722174 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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