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CAS 132144-03-7 6-(1-Piperazinyl)-3-pyridinecarboxylic acid methyl ester molecular structure lightbox
CAS RN: 132144-03-7

6-(1-Piperazinyl)-3-pyridinecarboxylic acid methyl ester

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 10mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS132144-03-7
  • Purity/Analytical Methods: >99.0%
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132144-03-7 / methyl 6-piperazin-1-ylpyridine-3-carboxylate

Standard CAS: 132144-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132144-03-7
Multi CAS
No
Molecular Formula
C11H15N3O2
Molecular Weight
221.260000
Exact Mass
221.116427
SMILES
COC(=O)C1=CN=C(C=C1)N2CCNCC2
InChI
InChI=1S/C11H15N3O2/c1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3
InChIKey
HMFYTTJLIFNUCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.66
TPSA
54.46

LogP / Solubility

WLOGP
0.28
MLOGP
0.25
XLogP3
0.5
Consensus LogP
0.34
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-3.87

Drug-likeness / Medicinal Chemistry

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

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