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CAS 10333-64-9 (1-Methyl-piperidin-4-yl)-acetaldehyde molecular structure lightbox
CAS RN: 10333-64-9

(1-Methyl-piperidin-4-yl)-acetaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-004809
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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: 5g
  • 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 10333-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10333-64-9 / 2-(1-methylpiperidin-4-yl)acetaldehyde

(1-METHYLPIPERIDIN-4-YL)ACETALDEHYDE | DTXSID70616672 | RefChem:204644

Standard CAS: 10333-64-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10333-64-9
Multi CAS
No
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
SMILES
CN1CCC(CC1)CC=O
InChI
InChI=1S/C8H15NO/c1-9-5-2-8(3-6-9)4-7-10/h7-8H,2-6H2,1H3
InChIKey
RLBGFQHGJXQUKY-UHFFFAOYSA-N
Synonyms
(1-METHYLPIPERIDIN-4-YL)ACETALDEHYDE DTXSID70616672 RefChem:204644 DTXCID60567427 2-(1-methylpiperidin-4-yl)acetaldehyde

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.9
TPSA
20.31

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.4
Consensus LogP
0.71
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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