| CAS Number | 1038973-85-1 |
| Catalog Number | AG01C15S |
| Chemical Name | 1-[1-(4-METHANESULFONYLPHENYL)ETHYL]PIPERIDIN-4-AMINE |
| IUPAC Name | 1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-amine |
| InChI | InChI=1S/C14H22N2O2S/c1-11(16-9-7-13(15)8-10-16)12-3-5-14(6-4-12)19(2,17)18/h3-6,11,13H,7-10,15H2,1-2H3 |
| InChI Key | HHVXPNQOTFFNGK-UHFFFAOYSA-N |
| MDL Number | MFCD12641606 |
| Molecular Formula | C14H22N2O2S |
| Molecular Weight | 282.4017 |
| SMILES | NC1CCN(C(C2=CC=C(S(=O)(C)=O)C=C2)C)CC1 |
| Synonyms | 1-[1-(4-methanesulfonylphenyl)ethyl]piperidin-4-amine,
1038973-85-1,
AKOS009287216,
Z2235810150,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.402g/mol |
| Monoisotopic Mass | 282.14g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number