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CAS 67691-62-7 1-(PYRIDIN-2-YLCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 67691-62-7

1-(PYRIDIN-2-YLCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID

  • Product code: SSC-177442
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 67691-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

67691-62-7 / 1-(pyridine-2-carbonyl)piperidine-4-carboxylic acid

Standard CAS: 67691-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67691-62-7
Multi CAS
No
Molecular Formula
C12H14N2O3
Molecular Weight
234.250000
Exact Mass
234.100442
InChI
InChI=1S/C12H14N2O3/c15-11(10-3-1-2-6-13-10)14-7-4-9(5-8-14)12(16)17/h1-3,6,9H,4-5,7-8H2,(H,16,17)
InChIKey
YXSXPCQHCMZSDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.5
TPSA
70.5

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.43

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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