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CAS 1206228-82-1 methyl 4-cyanopiperidine-4-carboxylate molecular structure lightbox
CAS RN: 1206228-82-1

methyl 4-cyanopiperidine-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021643
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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: 0.25g
  • 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 1206228-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1206228-82-1 / methyl 4-cyanopiperidine-4-carboxylate

methyl 4-cyanopiperidine-4-carboxylate | MFCD19313440 | SCHEMBL17150402

Standard CAS: 1206228-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206228-82-1
Multi CAS
No
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
SMILES
COC(=O)C1(CCNCC1)C#N
InChI
InChI=1S/C8H12N2O2/c1-12-7(11)8(6-9)2-4-10-5-3-8/h10H,2-5H2,1H3
InChIKey
GNKQILAUTUVSDE-UHFFFAOYSA-N
Synonyms
methyl 4-cyanopiperidine-4-carboxylate MFCD19313440 SCHEMBL17150402 methyl4-cyanopiperidine-4-carboxylate AKOS014313290

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.17
TPSA
62.12

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
-0.1
Consensus LogP
0.0000
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.71

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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