| CAS Number | 50534-08-2 |
| Catalog Number | AG01DHBL |
| Chemical Name | (4-aminophenyl)[4-(dimethylamino)-1-piperidinyl]-Methanone, |
| IUPAC Name | (4-aminophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone |
| InChI | InChI=1S/C14H21N3O/c1-16(2)13-7-9-17(10-8-13)14(18)11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3 |
| InChI Key | ZZZGWXZXEDIVEW-UHFFFAOYSA-N |
| MDL Number | MFCD12439382 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | CN(C1CCN(CC1)C(=O)c1ccc(cc1)N)C |
| Synonyms | 50534-08-2,
(4-Aminophenyl)[4-(dimethylamino)-1-piperidinyl]-Methanone,,
SCHEMBL3399465,
(4-aminophenyl)[4-(dimethylamino)-1-piperidinyl]Methanone,
ZZZGWXZXEDIVEW-UHFFFAOYSA-N,
ZINC36190799,
AKOS005852768,
SB17831,
FT-0763384,
1-(4-aminobenzoyl)-N,N-dimethylpiperidin-4-amine,
(4-aminophenyl)-(4-dimethylaminopiperidin-1-yl)methanone,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.342g/mol |
| Monoisotopic Mass | 247.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number