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CAS 149669-43-2 5-FLUORO-3-PIPERIDIN-4-YL-1H-INDOLE molecular structure lightbox
CAS RN: 149669-43-2

5-FLUORO-3-PIPERIDIN-4-YL-1H-INDOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS149669-43-2
  • Purity/Analytical Methods: >99.0%
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149669-43-2 / 5-fluoro-3-piperidin-4-yl-1H-indole

Standard CAS: 149669-43-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149669-43-2
Multi CAS
No
Molecular Formula
C13H15FN2
Molecular Weight
218.270000
Exact Mass
218.121927
SMILES
C1CNCCC1C2=CNC3=C2C=C(C=C3)F
InChI
InChI=1S/C13H15FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-2,7-9,15-16H,3-6H2
InChIKey
VQFAITGIMWXQQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
63.1
TPSA
27.82

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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