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CAS 4593-16-2 1-ACETYL-3-METHYLPIPERIDINE molecular structure lightbox
CAS RN: 4593-16-2

1-ACETYL-3-METHYLPIPERIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4593-16-2
  • Purity/Analytical Methods: >99.0%
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4593-16-2 / 1-(3-methylpiperidin-1-yl)ethanone

Standard CAS: 4593-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4593-16-2
Multi CAS
No
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
InChI
InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3
InChIKey
XKFPNHDGLSYZRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
1
Molar refractivity
40.65
TPSA
20.31

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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