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CAS 102170-24-1 N-Methoxypiperidin-4-one molecular structure lightbox
CAS RN: 102170-24-1

N-Methoxypiperidin-4-one

  • Product code: SSC-003438
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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: ≥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 102170-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

102170-24-1 / 1-methoxypiperidin-4-one

1-METHOXYPIPERIDIN-4-ONE | 1-methoxy-piperidin-4-one | DTXSID40601414

Standard CAS: 102170-24-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102170-24-1
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
CON1CCC(=O)CC1
InChI
InChI=1S/C6H11NO2/c1-9-7-4-2-6(8)3-5-7/h2-5H2,1H3
InChIKey
GWMISASZFLPFMP-UHFFFAOYSA-N
Synonyms
1-METHOXYPIPERIDIN-4-ONE 1-methoxy-piperidin-4-one DTXSID40601414 RefChem:433594 DTXCID60552171

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.82
TPSA
29.54

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.06
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (96.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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