| CAS Number | 422270-29-9 |
| Catalog Number | AG019ENO(AGN-PC-0WG3P2) |
| Chemical Name | (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperazine |
| IUPAC Name | (3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperazine |
| InChI | InChI=1S/C12H17FN2/c1-10-8-15(7-6-14-10)9-11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1 |
| InChI Key | NPIPCQHHNIFPQW-SNVBAGLBSA-N |
| MDL Number | MFCD20270216 |
| Molecular Formula | C12H17FN2 |
| Molecular Weight | 208.2752 |
| SMILES | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1 |
| Synonyms | (r)-1-(4-fluorobenzyl)-3-methylpiperazine,
422270-29-9,
(3R)-1-(4-Fluoro-benzyl)-3-methyl-piperazine,
SCHEMBL3165269,
CTK1C8595,
DTXSID70469246,
NPIPCQHHNIFPQW-SNVBAGLBSA-N,
MFCD20270216,
ZINC35904737,
AKOS026115642,
KS-000019K3,
CS-0038720,
(R)-1-(4-fluoro-benzyl)-3-methyl-piperazine,
(R)-1-(4-fluorobenzyl)-3-methylpiperazine(WXC06674),
Piperazine, 1-[(4-fluorophenyl)methyl]-3-methyl-, (3R)-,
CID11600914,
1-[(4-fluorophenyl)methyl]-3-methyl-piperazine,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.28g/mol |
| Monoisotopic Mass | 208.138g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number