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CAS 210962-09-7 1-(4-PYRIDINYL)-4-PIPERIDINECARBOXYLIC molecular structure lightbox
CAS RN: 210962-09-7

1-(4-PYRIDINYL)-4-PIPERIDINECARBOXYLIC

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 1g In stock Shandong Inquiry
Batchno.20250328 250mg In stock Shandong, Guangdong Inquiry
  • Product code: starshine_CAS210962-09-7
  • Purity/Analytical Methods: >99.0%
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210962-09-7 / 1-pyridin-4-ylpiperidine-4-carboxylic acid;hydrochloride

Standard CAS: 210962-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210962-09-7
Multi CAS
No
Molecular Formula
C11H15ClN2O2
Molecular Weight
242.700000
Exact Mass
242.082205
SMILES
C1CN(CCC1C(=O)O)C2=CC=NC=C2.Cl
InChI
InChI=1S/C11H14N2O2.ClH/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10;/h1-2,5-6,9H,3-4,7-8H2,(H,14,15);1H
InChIKey
AFFOXJSAQYSQIM-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
3
H-bond donors
1
Molar refractivity
64.06
TPSA
53.43

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.92

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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