Home Other Building Blocks 100939-89-7
100939-89-7,MFCD01829255
Catalog No.:AA00036T
100939-89-7 | 3-(Piperazinocarbonyl)anisole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$54.00   $38.00
- +
5g
95%
in stock  
$221.00   $155.00
- +
10g
95%
in stock  
$436.00   $305.00
- +
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Technical Information
Catalog Number:
AA00036T
Chemical Name:
3-(Piperazinocarbonyl)anisole
CAS Number:
100939-89-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD01829255
IUPAC Name:
(3-methoxyphenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
InChI Key:
IPZDOXRVWBCKCE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)N1CCNCC1
Properties
Computed 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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
100939-89-7 
(3-methoxyphenyl)(piperazin-1-yl)methanone 
(3-Methoxyphenyl)(1-piperazinyl)methanone 
ACMC-2097td 
Oprea1_593117 
Oprea1_602654 
SCHEMBL3846426 
CTK3J9374 
N-(3-methoxybenzoyl)-piperazine 
DTXSID10395212 
IPZDOXRVWBCKCE-UHFFFAOYSA-N 
KS-00001NU0 
1-(3-methoxybenzoyl)piperazine 
ZINC5720982 
AB2891 
ANW-14399 
BBL018171 
BDBM50226217 
MFCD01829255 
STL183858 
AKOS000124746 
MCULE-9179157790 
RTR-000275 
3-(Piperazinocarbonyl)anisole 
AJ-54624 
AS-44667 
(3-methoxyphenyl)-piperazin-1-ylmethanone 
AB0059670 
TR-000275 
FT-0681600 
Z6330 
K-0202 
I13-504 
C12H16N2O2 
CHEMBL348139 
CID3699556 
(3-methoxyphenyl)-piperazin-1-yl-methanone 
(3-Methoxy-phenyl)-piperazin-1-yl-methanone 
Methanone,(3-methoxyphenyl)-1-piperazinyl- 
Methanone, (3-methoxyphenyl)-1-piperazinyl- 
(3-METHOXYPHENYL)PIPERAZIN-1-YL-METHANONE 
AC1MWHFD 
Literature
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