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Substance Name: 4-Piperidinol, 1-((2-phenylcyclopropyl)carbonyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)-
RN: 102071-61-4
InChIKey: HDOBMLLBKGSHNB-RBUKOAKNSA-N

Molecular Formula

  • C22-H22-F3-N-O2

Molecular Weight

  • 389.4148
 
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Names and Synonyms

Synonym

  • 1-(trans-2-Phenylcyclopropylcarbonyl)-4-hydroxy-4-(3-trifluoromethylphenyl)piperidine

Systematic Name

  • 4-Piperidinol, 1-((2-phenylcyclopropyl)carbonyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 102071-61-4

System Generated Number

  • 0102071614

Structure Descriptors

InChI

1S/C22H22F3NO2/c23-22(24,25)17-8-4-7-16(13-17)21(28)9-11-26(12-10-21)20(27)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19,28H,9-12,14H2/t18-,19+/m0/s1

InChIKey

HDOBMLLBKGSHNB-RBUKOAKNSA-N

Smiles

c1ccc(cc1)[C@@H]2C[C@H]2C(=O)N3CCC(CC3)(c4cccc(c4)C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11121,