| CAS Number | 102294-90-6 |
| Catalog Number | AG01AASW |
| Chemical Name | 1-(4-Iodobenzoyl)-4-methylpiperazine |
| IUPAC Name | (4-iodophenyl)-(4-methylpiperazin-1-yl)methanone |
| InChI | InChI=1S/C12H15IN2O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3 |
| InChI Key | BBMFZVHBKNMGJJ-UHFFFAOYSA-N |
| MDL Number | MFCD03703905 |
| Molecular Formula | C12H15IN2O |
| Molecular Weight | 330.1648 |
| SMILES | CN1CCN(C(C2=CC=C(I)C=C2)=O)CC1 |
| Synonyms | 1-(4-iodobenzoyl)-4-methylpiperazine,
102294-90-6,
1-[(4-iodophenyl)carbonyl]-4-methylpiperazine,
(4-Iodo-phenyl)-(4-methyl-piperazin-1-yl)-methanone,
AC1LH0PF,
AC1Q3ZSL,
(4-iodophenyl)-(4-methylpiperazin-1-yl)methanone,
SCHEMBL2235076,
BBMFZVHBKNMGJJ-UHFFFAOYSA-N,
STK181868,
ZINC19794644,
AKOS003360975,
MCULE-6373086947,
NE36759,
EN300-69472,
(4-iodophenyl)(4-methylpiperazin-1-yl)methanone,
(4-Iodophenyl)(4-methylpiperazin-1- yl)methanone,
SR-01000230930,
SR-01000230930-1,
Z27705152,
CID879909,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.169g/mol |
| Monoisotopic Mass | 330.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number