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CAS 949-69-9 1-benzyl-4-piperidone oxime molecular structure lightbox
CAS RN: 949-69-9

1-benzyl-4-piperidone oxime

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5 package records4 with current stock2 grade groups
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Batchno.20251214 100g In stock Inquiry
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  • Product code: starshine_CAS949-69-9
  • Purity/Analytical Methods: >99.0%
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949-69-9 / N-(1-benzylpiperidin-4-ylidene)hydroxylamine

Standard CAS: 949-69-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
949-69-9
Multi CAS
Yes
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChIKey
VIMRHNNRKUWOIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.17
TPSA
35.83

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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