Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate - CAS 917755-77-2
Catalog: |
BB040346 |
Product Name: |
Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate |
CAS: |
917755-77-2 |
Synonyms: |
1-O-tert-butyl 4-O-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 4-O-ethyl 4-[(4-fluorophenyl)methyl]piperidine-1,4-dicarboxylate |
Description: | Ethyl N-Boc-4-(4-fluorobenzyl)piperidine-4-carboxylate (CAS# 917755-77-2 ) is a useful research chemical. |
Molecular Weight: | 365.44 |
Molecular Formula: | C20H28FNO4 |
Canonical SMILES: | CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)F |
InChI: | InChI=1S/C20H28FNO4/c1-5-25-17(23)20(14-15-6-8-16(21)9-7-15)10-12-22(13-11-20)18(24)26-19(2,3)4/h6-9H,5,10-14H2,1-4H3 |
InChI Key: | KIIYXHXWARGQKK-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD09038430 |
LogP: | 3.88650 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2021101745-A4 | Control system and working method of vertical purple sweet potato-pear composite vinegar fermentation tank | 20210406 |
WO-2020094018-A1 | Spiro aromatic ring compound and application thereof | 20181106 |
CN-111566104-A | Spiro aromatic ring compound and application thereof | 20181106 |
CN-111592525-A | Spiro aromatic ring compound and application thereof | 20181106 |
CN-111592525-B | Spiro aromatic ring compound and application thereof | 20181106 |
Complexity: | 487 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 365.20023654 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 365.20023654 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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