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CAS 31945-06-9 (S)-3-(piperidin-2-yl)pyridine dihydrochloride molecular structure lightbox
CAS RN: 31945-06-9

(S)-3-(piperidin-2-yl)pyridine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS31945-06-9
  • Purity/Analytical Methods: >99.0%
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31945-06-9 / 3-[(2S)-piperidin-2-yl]pyridine;dihydrochloride

Standard CAS: 31945-06-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31945-06-9
Multi CAS
Yes
Molecular Formula
C10H16CL2N2
Molecular Weight
235.150000
Exact Mass
234.069054
InChI
InChI=1S/C10H14N2.2ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;;/h3-4,6,8,10,12H,1-2,5,7H2;2*1H/t10-;;/m0../s1
InChIKey
YVAXNODSVITPGV-XRIOVQLTSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.33
TPSA
24.92

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

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