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CAS 497224-01-8 1-(2-methylpropyl)piperidin-2-one molecular structure lightbox
CAS RN: 497224-01-8

1-(2-methylpropyl)piperidin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS497224-01-8
  • Purity/Analytical Methods: >99.0%
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497224-01-8 / 1-(2-methylpropyl)piperidin-2-one

Standard CAS: 497224-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
497224-01-8
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
InChI
InChI=1S/C9H17NO/c1-8(2)7-10-6-4-3-5-9(10)11/h8H,3-7H2,1-2H3
InChIKey
IOOXDDQLNSTLNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.27
TPSA
20.31

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.47
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.49

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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