Home Other Building Blocks methyl 4-(piperazin-2-yl)benzoate

methyl 4-(piperazin-2-yl)benzoate

CAS No.:
1391340-51-4
Catalog Number:
AG01DUUL
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DUUL
Chemical Name:
methyl 4-(piperazin-2-yl)benzoate
CAS Number:
1391340-51-4
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD06739474
IUPAC Name:
methyl 4-piperazin-2-ylbenzoate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)10-4-2-9(3-5-10)11-8-13-6-7-14-11/h2-5,11,13-14H,6-8H2,1H3
InChI Key:
KWEFGFPZJBLWBN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1NCCNC1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties