(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride (1:1) | CAS No. 78246-49-8

(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride (1:1)

Basic Information

CAS Number

78246-49-8

Molecular Formula

C19H21ClFNO3

Molecular Weight

365.83 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

129-131ºC

Specific Rotation

-88.0° - -92.0° (c=1, MeOH)

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1

InChIKey

GELRVIPPMNMYGS-RVXRQPKJSA-N

LogP

3.7483000000000013

Topological Polar Surface Area

39.72 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

402

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • UNII-5V22ESA4MA
  • (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride
  • D70630
  • BRL29060 hydrochloride
  • NCGC00260780-01
  • BRL29060A
  • BRL 29060A
  • (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride
  • C19H21ClFNO3
  • 78246-49-8
  • D05374
  • (3S-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-piperidine hydrochloride
  • (-)-trans-4-(-4-fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-piperidine hydrochloride
  • SDB 7175
  • (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-methylenedioxy)phenoxy)-methyl)piperidine hydrochloride
  • Aropax 20
  • P1977
  • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, hydrochloride, (3S,4R)-
  • (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine hydrochloride
  • MLS002222322
  • trans-(+/-)-3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride
  • (3S,4R)-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride
  • (3S,4R)-3-((BENZO[D][1,3]DIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE HCL
  • KS-5097
  • NSC-758654
  • BRL 29060 hydrochloride
  • Paroxetine Hcl
  • SPECTRUM1504085
  • Tox21_500095
  • SR-01000759305
  • AKOS015849162

MDL Number

MFCD00797405

Customs Code

2934999090

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