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CAS 51747-03-6 Piperidine, 3-(1H-pyrazol-3-yl)-, hydrochloride (1:2) molecular structure lightbox
CAS RN: 51747-03-6

Piperidine, 3-(1H-pyrazol-3-yl)-, hydrochloride (1:2)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51747-03-6
  • Purity/Analytical Methods: >99.0%
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51747-03-6 / 3-(1H-pyrazol-5-yl)piperidine;dihydrochloride

Standard CAS: 51747-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51747-03-6
Multi CAS
Yes
Molecular Formula
C8H15CL2N3
Molecular Weight
224.130000
Exact Mass
223.064303
InChI
InChI=1S/C8H13N3.2ClH/c1-2-7(6-9-4-1)8-3-5-10-11-8;;/h3,5,7,9H,1-2,4,6H2,(H,10,11);2*1H
InChIKey
DIDJOGZJCKOBSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.93
TPSA
40.71

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-2.87

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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