(1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl)methylamine Oxalate - CAS 1177321-27-5
Catalog: |
BB065141 |
Product Name: |
(1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl)methylamine Oxalate |
CAS: |
1177321-27-5 |
Synonyms: |
(1-[2-(4-FLUOROPHENYL)ETHYL]PIPERIDIN-4-YL)METHYLAMINE OXALATE; {1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methylamine oxalate; [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanamine; oxalic acid; 1-{1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl}methanamine (C2H2O4) |
IUPAC Name: | [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanamineoxalic acid |
Description: | (1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl)methylamine Oxalate |
Molecular Weight: | 236.33 +(90.03) |
Molecular Formula: | C14H21FN2·C2H2O4 |
Canonical SMILES: | C1CN(CCC1CN)CCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C14H21FN2.C2H2O4/c15-14-3-1-12(2-4-14)5-8-17-9-6-13(11-16)7-10-173-1(4)2(5)6/h1-4,13H,5-11,16H2(H,3,4)(H,5,6) |
InChI Key: | BEQJWEFWFATJMC-UHFFFAOYSA-N |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.16418538 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.16418538 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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