Cas no 70931-18-9 (1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-)

1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]- structure
70931-18-9 structure
Product Name:1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-
CAS No:70931-18-9
MF:C23H29FN2OS
MW:400.55256819725
CID:567402
PubChem ID:115193
Update Time:2025-04-19

1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]- Chemical and Physical Properties

Names and Identifiers

    • 1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-
    • 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
    • 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol
    • 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-
    • 1-Piperazineethanol, 4-(3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-
    • 2-(3-(7-fluoro-2-isopropyl-10,11-dihydrodibenzo< b,f> thiepin-11-yl)piperazine-1-yl)et
    • 7-Fluoro-11-(4-(2-hydroxyethyl)piperazino)-2-isopropyl-10,11-dihydrodibenzo(b,f)thiepin
    • AC1L3GOW
    • EINECS 275-028-1
    • SureCN1649426
    • UNII-4P96GSF1NJ
    • 70931-18-9
    • 2-(4-(3-Fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl)ethan-1-ol
    • CHEMBL4573312
    • XDBMBHVYXPBOPL-UHFFFAOYSA-N
    • 4-(3-FLUORO-10,11-DIHYDRO-8-ISOPROPYLDIBENZO(B,F)THIEPIN-10- YL)PIPERAZINE-1-ETHANOL
    • AKOS005065677
    • 4-(3-Fluoro-10,11-dihydro-8-isopropyldibenzo(b,f)thiepin-10-yl)piperazine-1-ethanol
    • BDBM442750
    • 2-{4-[3-Fluoro-8-(propan-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}ethan-1-ol
    • 4P96GSF1NJ
    • 1-PIPERAZINEETHANOL, 4-(10,11-DIHYDRO-3-FLUORO-8-(1- METHYLETHYL)DIBENZO(B,F)THIEPIN-10-YL)-
    • NS00064464
    • 1-PIPERAZINEETHANOL, 4-(3-FLUORO-10,11-DIHYDRO-8-(1- METHYLETHYL)DIBENZO(B,F)THIEPIN-10-YL)-
    • 3-Fluoro-10-[4-(2-hydroxyethyl)piperazino]-8-isopropyl-10,11-dihydrodibenzo (b,f) thiepin
    • 7-FLUORO-11-(4-(2-HYDROXYETHYL)PIPERAZINO)-2-ISOPROPYL- 10,11-DIHYDRODIBENZO(B,F)THIEPIN
    • DTXSID90991216
    • Q27260323
    • Isofloxythepin
    • SCHEMBL1649426
    • Inchi： 1S/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3
    • InChI Key： XDBMBHVYXPBOPL-UHFFFAOYSA-N
    • SMILES： S1C2C=C(C=CC=2CC(C2C=C(C=CC1=2)C(C)C)N1CCN(CCO)CC1)F

Computed Properties

  • Exact Mass: 400.19867
  • Monoisotopic Mass: 400.198
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 499
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.196
  • Boiling Point: 497.9°C at 760 mmHg
  • Flash Point: 254.9°C
  • Refractive Index: 1.604
  • PSA: 26.71

1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]- Related Literature

70931-18-9 (1-Piperazineethanol,4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-) Related Products

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