2-[2-(Trifluoromethyl)phenyl]piperidine Hydrochloride - CAS 1187173-27-8
Catalog: |
BB057231 |
Product Name: |
2-[2-(Trifluoromethyl)phenyl]piperidine Hydrochloride |
CAS: |
1187173-27-8 |
Synonyms: |
2-(2-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE HCL; 2-[2-(trifluoromethyl)phenyl]piperidine; hydrochloride; 2-(2-(TRIFLUOROMETHYL)PHENYL)PIPERIDINEHCL |
IUPAC Name: | 2-[2-(trifluoromethyl)phenyl]piperidinehydrochloride |
Description: | 2-[2-(Trifluoromethyl)phenyl]piperidine Hydrochloride can be synthesized from N-tert-Butoxycarbonyl-2-piperidinone (B690595). |
Molecular Weight: | 229.24+(36.46) |
Molecular Formula: | C12H14F3N·HCl |
Canonical SMILES: | C1CCNC(C1)C2=CC=CC=C2C(F)(F)F.Cl |
InChI: | InChI=1S/C12H14F3N.ClH/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11/h1-2,5-6,11,16H,3-4,7-8H21H |
InChI Key: | NBVVWIDMOJBRLN-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.0845117 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.0845117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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