| CAS Number | 1852497-07-4 |
| Catalog Number | AG00ATGI(AGN-PC-0WR3ZP) |
| Chemical Name | (4-(4-Amino-3-methylphenyl)piperidin-1-yl)(cyclopropyl)methanone |
| IUPAC Name | [4-(4-amino-3-methylphenyl)piperidin-1-yl]-cyclopropylmethanone |
| InChI | InChI=1S/C16H22N2O/c1-11-10-14(4-5-15(11)17)12-6-8-18(9-7-12)16(19)13-2-3-13/h4-5,10,12-13H,2-3,6-9,17H2,1H3 |
| InChI Key | IMTLECOSKPMJEX-UHFFFAOYSA-N |
| MDL Number | MFCD30530548 |
| Molecular Formula | C16H22N2O |
| Molecular Weight | 258.3587 |
| SMILES | NC1=C(C=C(C=C1)C1CCN(CC1)C(=O)C1CC1)C |
| Synonyms | (4-(4-amino-3-methylphenyl)piperidin-1-yl)(cyclopropyl)methanone,
1852497-07-4,
SCHEMBL17395616,
MFCD30530548,
AKOS030629895,
ZINC584641307,
CS-W000752,
AS-48625,
[4-(4-amino-3-methylphenyl)piperidin-1-yl]-cyclopropylmethanone,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.365g/mol |
| Monoisotopic Mass | 258.173g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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