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CAS 956319-38-3 methyl 2-(4-hydroxypiperidin-1-yl)acetate molecular structure lightbox
CAS RN: 956319-38-3

methyl 2-(4-hydroxypiperidin-1-yl)acetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS956319-38-3
  • Purity/Analytical Methods: >99.0%
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956319-38-3 / methyl 2-(4-hydroxypiperidin-1-yl)acetate

Standard CAS: 956319-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956319-38-3
Multi CAS
No
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
InChI
InChI=1S/C8H15NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h7,10H,2-6H2,1H3
InChIKey
ZJIUZTYMERLYKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.7
TPSA
49.77

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.34
XLogP3
0.1
Consensus LogP
-0.21
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-4.05

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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