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CAS 1084976-73-7 4,4-BIS(METHOXYMETHYL)PIPERIDINE molecular structure lightbox
CAS RN: 1084976-73-7

4,4-BIS(METHOXYMETHYL)PIPERIDINE

  • Product code: SSC-009792
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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: ≥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 1084976-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1084976-73-7 / 4,4-bis(methoxymethyl)piperidine

4,4-bis(methoxymethyl)piperidine | MFCD28501942 | SB15831

Standard CAS: 1084976-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1084976-73-7
Multi CAS
No
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
SMILES
COCC1(CCNCC1)COC
InChI
InChI=1S/C9H19NO2/c1-11-7-9(8-12-2)3-5-10-6-4-9/h10H,3-8H2,1-2H3
InChIKey
OWMUNAZNSQGGMX-UHFFFAOYSA-N
Synonyms
4,4-bis(methoxymethyl)piperidine MFCD28501942 SB15831 SY345542 CS-0056650

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.29
TPSA
30.49

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.1
Consensus LogP
0.44
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.32

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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