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CAS 20691-92-3 1-METHYL-PIPERIDINE-4-CARBONITRILE molecular structure lightbox
CAS RN: 20691-92-3

1-METHYL-PIPERIDINE-4-CARBONITRILE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-097439
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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: ≥97%
  • 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 20691-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

20691-92-3 / 1-methylpiperidine-4-carbonitrile

Standard CAS: 20691-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20691-92-3
Multi CAS
No
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
SMILES
CN1CCC(CC1)C#N
InChI
InChI=1S/C7H12N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-5H2,1H3
InChIKey
HNAKTMSXYZOSTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
Molar refractivity
35.83
TPSA
27.03

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.5
Consensus LogP
0.7
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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