CAS RN: 6784-61-8

1-piperidinoacetone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6784-61-8
  • Purity/Analytical Methods: >99.0%
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6784-61-8 / 1-piperidin-1-ylpropan-2-one

Standard CAS: 6784-61-8 Multi CAS: Yes

Basic Information

CAS
6784-61-8
Multi CAS
Yes
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
InChI
InChI=1S/C8H15NO/c1-8(10)7-9-5-3-2-4-6-9/h2-7H2,1H3
InChIKey
WAPBWMNFSOOTGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.97
TPSA
20.31

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.83

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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