1-(2-Amino-1-phenylethyl)-4-(trifluoromethyl)piperidin-4-ol Fumarate - CAS 1185237-75-5
Catalog: |
BB074483 |
Product Name: |
1-(2-Amino-1-phenylethyl)-4-(trifluoromethyl)piperidin-4-ol Fumarate |
CAS: |
1185237-75-5 |
Synonyms: |
1-(2-AMINO-1-PHENYLETHYL)-4-(TRIFLUOROMETHYL)PIPERIDIN-4-OL FUMARATE; 1-(2-amino-1-phenylethyl)-4-(trifluoromethyl)piperidin-4-ol; (E)-but-2-enedioic acid; AR2441 |
IUPAC Name: | 1-(2-amino-1-phenylethyl)-4-(trifluoromethyl)piperidin-4-ol(E)-but-2-enedioic acid |
Description: | 1-(2-Amino-1-phenylethyl)-4-(trifluoromethyl)piperidin-4-ol Fumarate (cas# 1185237-75-5) is a useful research chemical. |
Molecular Weight: | 404.38 |
Molecular Formula: | C14H19N2OF3·C4H4O4 |
Canonical SMILES: | C1CN(CCC1(C(F)(F)F)O)C(CN)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
InChI: | InChI=1S/C14H19F3N2O.C4H4O4/c15-14(16,17)13(20)6-8-19(9-7-13)12(10-18)11-4-2-1-3-5-115-3(6)1-2-4(7)8/h1-5,12,20H,6-10,18H21-2H,(H,5,6)(H,7,8)/b2-1+ |
InChI Key: | DHTMBDYZIWICHA-WLHGVMLRSA-N |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 404.15590632 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 404.15590632 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 124Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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