Home Other Building Blocks 3-(Piperidin-1-ylmethyl)benzoic acid

3-(Piperidin-1-ylmethyl)benzoic acid

CAS No.:
158861-24-6
Catalog Number:
AG001QZ8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$178
- +
Product Description
Catalog Number:
AG001QZ8
Chemical Name:
3-(Piperidin-1-ylmethyl)benzoic acid
CAS Number:
158861-24-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD05841589
IUPAC Name:
3-(piperidin-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)
InChI Key:
UIXWGRXBYZGOQK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)CN1CCCCC1
Properties
Complexity:
236  
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:
-0.8  
Properties