Home Other Building Blocks Benzoic acid, 2-(1-piperazinyl)-, methyl ester

Benzoic acid, 2-(1-piperazinyl)-, methyl ester

CAS No.:
159974-63-7
Catalog Number:
AG001RKB
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
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Product Description
Catalog Number:
AG001RKB
Chemical Name:
Benzoic acid, 2-(1-piperazinyl)-, methyl ester
CAS Number:
159974-63-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD06656931
IUPAC Name:
methyl 2-piperazin-1-ylbenzoate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)10-4-2-3-5-11(10)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChI Key:
XGNPSKXFPSPTDE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1N1CCNCC1
Properties
Complexity:
239  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties