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CAS 191543-36-9 Piperazine, 1-acetyl-3,5-dimethyl-, cis- (9CI) molecular structure lightbox
CAS RN: 191543-36-9

Piperazine, 1-acetyl-3,5-dimethyl-, cis- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS191543-36-9
  • Purity/Analytical Methods: >99.0%
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191543-36-9 / 1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethanone

Standard CAS: 191543-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191543-36-9
Multi CAS
No
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C(=O)C
InChI
InChI=1S/C8H16N2O/c1-6-4-10(8(3)11)5-7(2)9-6/h6-7,9H,4-5H2,1-3H3/t6-,7+
InChIKey
QQAIMPFDNDFHDR-KNVOCYPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.31
TPSA
32.34

LogP / Solubility

WLOGP
0.22
MLOGP
0.18
XLogP3
-0.1
Consensus LogP
0.1
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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