Ethyl 1-Benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate - CAS 1067915-34-7
Catalog: |
BB001923 |
Product Name: |
Ethyl 1-Benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate |
CAS: |
1067915-34-7 |
Synonyms: |
5,5-difluoro-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester; ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate |
IUPAC Name: | ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate |
Description: | Ethyl 1-Benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate (CAS# 1067915-34-7) is a useful research chemical. |
Molecular Weight: | 297.30 |
Molecular Formula: | C15H17F2NO3 |
Canonical SMILES: | CCOC(=O)C1CN(CC(C1=O)(F)F)CC2=CC=CC=C2 |
InChI: | InChI=1S/C15H17F2NO3/c1-2-21-14(20)12-9-18(10-15(16,17)13(12)19)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3 |
InChI Key: | GFVJRPGBYSFNTN-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD16036533 |
LogP: | 1.82380 |
Publication Number | Title | Priority Date |
US-10221182-B2 | 3,3-difluoro-piperidine derivatives as NR2B NMDA receptor antagonists | 20150204 |
US-2018030055-A1 | 3,3-difluoro-piperidine derivatives as nr2b nmda receptor antagonists | 20150204 |
WO-2016126869-A1 | 3,3-difluoro-piperidine derivatives as nr2b nmda receptor antagonists | 20150204 |
CN-104059063-A | Preparation method of 7,7-difluoro-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine and derivatives of 7,7-difluoro-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine | 20140403 |
US-2015274652-A1 | Piperidine derivatives and methods of treating hepatitis b infections | 20140327 |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.11764973 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.11764973 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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