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24228-40-8

24228-40-8 | Ethyl 1-benzylpiperidine-4-carboxylate

CAS No: 24228-40-8 Catalog No: AG0034TY MDL No:MFCD00040748

Product Description

Catalog Number:
AG0034TY
Chemical Name:
Ethyl 1-benzylpiperidine-4-carboxylate
CAS Number:
24228-40-8
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
MDL Number:
MFCD00040748
IUPAC Name:
ethyl 1-benzylpiperidine-4-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChI Key:
ASQCOPJFYLJCGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)Cc1ccccc1
EC Number:
246-094-9

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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