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CAS 1260645-80-4 3-Fluoro-4-(piperidin-3-yl)pyridine dihydrochloride molecular structure lightbox
CAS RN: 1260645-80-4

3-Fluoro-4-(piperidin-3-yl)pyridine dihydrochloride

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Batchno.20260309 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260645-80-4
  • Purity/Analytical Methods: >99.0%
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1260645-80-4 / 3-fluoro-4-piperidin-3-ylpyridine;dihydrochloride

Standard CAS: 1260645-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260645-80-4
Multi CAS
No
Molecular Formula
C10H15Cl2FN2
Molecular Weight
253.140000
Exact Mass
252.059632
SMILES
C1CC(CNC1)C2=C(C=NC=C2)F.Cl.Cl
InChI
InChI=1S/C10H13FN2.2ClH/c11-10-7-13-5-3-9(10)8-2-1-4-12-6-8;;/h3,5,7-8,12H,1-2,4,6H2;2*1H
InChIKey
ZNBYPLGGAITAKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.54
TPSA
24.92

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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