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CAS 189442-92-0 1-BOC-4-FORMYL-4-METHYL-PIPERIDINE molecular structure lightbox
CAS RN: 189442-92-0

1-BOC-4-FORMYL-4-METHYL-PIPERIDINE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 100mg In stock Shanghai Inquiry
Batchno.20250327 10g In stock Shanghai, Wuhan Inquiry
Batchno.20260110 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260420 250mg In stock Shanghai Inquiry
Batchno.20250912 250mg / 1g / 5g Out of stock 15 business days Inquiry
Batchno.20250101 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-088576
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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: 0.1g, 0.25g, 1g, 5g
  • 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 189442-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

189442-92-0 / tert-butyl 4-formyl-4-methylpiperidine-1-carboxylate

Standard CAS: 189442-92-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
189442-92-0
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h9H,5-8H2,1-4H3
InChIKey
LMKGOFDRKIAUPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.21
TPSA
46.61

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.4
Consensus LogP
1.86
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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