Home Carboxys Ethyl 1-benzylpiperidine-3-carboxylate

Ethyl 1-benzylpiperidine-3-carboxylate

CAS No.:
72551-53-2
Catalog Number:
AG0034TX
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$24
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0034TX
Chemical Name:
Ethyl 1-benzylpiperidine-3-carboxylate
CAS Number:
72551-53-2
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
MDL Number:
MFCD00191221
IUPAC Name:
ethyl 1-benzylpiperidine-3-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChI Key:
CDMAVYOAEITWFQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)Cc1ccccc1
Properties
Complexity:
261  
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:
1  
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
Properties