4-Methyl-1-(4-amino-2-trifluoromethylphenyl)piperidine DiHCl - CAS 1189494-84-5
Catalog: |
BB059409 |
Product Name: |
4-Methyl-1-(4-amino-2-trifluoromethylphenyl)piperidine DiHCl |
CAS: |
1189494-84-5 |
Synonyms: |
4-Methyl-1-(4-amino-2-trifluoromethylphenyl)piperidine dihydrochloride; 4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)aniline dihydrochloride; 4-Methyl-1-(4-amino-2-trifluoromethylphenyl)piperidine DiHCl; 4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)aniline; dihydrochloride; 4-Methyl-1-(4-amino-2-trifluoromethylphenyl)-piperidine dihydrochloride |
IUPAC Name: | 4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)anilinedihydrochloride |
Description: | 4-Methyl-1-(4-amino-2-trifluoromethylphenyl)piperidine DiHCl |
Molecular Weight: | 331.21 |
Molecular Formula: | C13H19Cl2F3N2 |
Canonical SMILES: | CC1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F.Cl.Cl |
InChI: | InChI=1S/C13H17F3N2.2ClH/c1-9-4-6-18(7-5-9)12-3-2-10(17)8-11(12)13(14,15)16/h2-3,8-9H,4-7,17H2,1H32*1H |
InChI Key: | FEHIEDHHFYKBPW-UHFFFAOYSA-N |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.0877385 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.0877385 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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