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CAS 3603-43-8 1-[2-(2-Hydroxyethoxy)Ethyl]Piperidine molecular structure lightbox
CAS RN: 3603-43-8

1-[2-(2-Hydroxyethoxy)Ethyl]Piperidine

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Batchno.20250706 25g In stock Shanghai Inquiry
  • Product code: starshine_CAS3603-43-8
  • Purity/Analytical Methods: >99.0%
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3603-43-8 / 2-(2-piperidin-1-ylethoxy)ethanol

Standard CAS: 3603-43-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3603-43-8
Multi CAS
Yes
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
InChI
InChI=1S/C9H19NO2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h11H,1-9H2
InChIKey
YVMNPPASXPOPIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.2
TPSA
32.7

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.8
Consensus LogP
0.57
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-3.44

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

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