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CAS 1415564-49-6 Methyl 2-(4-hydroxy-1-Methylpiperidin-4-yl)acetate molecular structure lightbox
CAS RN: 1415564-49-6

Methyl 2-(4-hydroxy-1-Methylpiperidin-4-yl)acetate

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Batchno.20260623 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415564-49-6
  • Purity/Analytical Methods: >99.0%
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1415564-49-6 / methyl 2-(4-hydroxy-1-methylpiperidin-4-yl)acetate

Standard CAS: 1415564-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415564-49-6
Multi CAS
No
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
SMILES
CN1CCC(CC1)(CC(=O)OC)O
InChI
InChI=1S/C9H17NO3/c1-10-5-3-9(12,4-6-10)7-8(11)13-2/h12H,3-7H2,1-2H3
InChIKey
PKDFBEDCTHBGNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.31
TPSA
49.77

LogP / Solubility

WLOGP
0.01
XLogP3
0.3
Consensus LogP
0.1
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.86

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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