200,000+ products from a single source!
sales@angenechem.com
72551-53-2 | Ethyl 1-Benzylpiperidine-3-carboxylate
CAS No: 72551-53-2 Catalog No: AG0034TX MDL No:MFCD00191221
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.