CAS RN: 357263-39-9

(R)-2-METHYL-4-BENZOYLPIPERAZINE

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  • Product code: starshine_CAS357263-39-9
  • Purity/Analytical Methods: >99.0%
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357263-39-9 / [(3R)-3-methylpiperazin-1-yl]-phenylmethanone

Standard CAS: 357263-39-9 Multi CAS: Yes

Basic Information

CAS
357263-39-9
Multi CAS
Yes
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c1-10-9-14(8-7-13-10)12(15)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-/m1/s1
InChIKey
BCXBBYDLRSJZTE-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.81
TPSA
32.34

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.17

Drug-likeness / Medicinal Chemistry

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

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