Home Carboxys 1-(4-Chlorobenzyl)piperidine-4-carboxylic acid hydrochloride

1-(4-Chlorobenzyl)piperidine-4-carboxylic acid hydrochloride

CAS No.:
733798-69-1
Catalog Number:
AG00FFYI
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
97%
1 week
United States
$281
- +
1g
97%
1 week
United States
$455
- +
Product Description
Catalog Number:
AG00FFYI
Chemical Name:
1-(4-Chlorobenzyl)piperidine-4-carboxylic acid hydrochloride
CAS Number:
733798-69-1
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
MDL Number:
MFCD03371477
IUPAC Name:
1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H16ClNO2/c14-12-3-1-10(2-4-12)9-15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17)
InChI Key:
FCNZWHCTMHUWMT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1ccc(cc1)Cl
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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