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CAS 167263-04-9 TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 167263-04-9

TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-072941
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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 167263-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

167263-04-9 / tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate

Standard CAS: 167263-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167263-04-9
Multi CAS
No
Molecular Formula
C16H21N3O2
Molecular Weight
287.360000
Exact Mass
287.163377
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC=CC=N2
InChI
InChI=1S/C16H21N3O2/c1-15(2,3)21-14(20)19-10-7-16(12-17,8-11-19)13-6-4-5-9-18-13/h4-6,9H,7-8,10-11H2,1-3H3
InChIKey
OUILGYJQVAMETA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
78.57
TPSA
66.22

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
1.8
Consensus LogP
2.4
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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