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Home Other Building Blocks 4-(Piperidin-1-ylmethyl)benzoic acid

4-(Piperidin-1-ylmethyl)benzoic acid

CAS No.:
159691-33-5
Catalog Number:
AG001RBB
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
10g
95%
In Stock USA
United States
$750
- +
25g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG001RBB
Chemical Name:
4-(Piperidin-1-ylmethyl)benzoic acid
CAS Number:
159691-33-5
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD05240080
IUPAC Name:
4-(piperidin-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
InChI Key:
RNCCMTVMMFUIKR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1CCCCC1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
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