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CAS 215655-20-2 1-(2-CHLORO-6-FLUOROBENZYL)PIPERAZINE molecular structure lightbox
CAS RN: 215655-20-2

1-(2-CHLORO-6-FLUOROBENZYL)PIPERAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS215655-20-2
  • Purity/Analytical Methods: >99.0%
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215655-20-2 / 1-[(2-chloro-6-fluorophenyl)methyl]piperazine

Standard CAS: 215655-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215655-20-2
Multi CAS
No
Molecular Formula
C11H14ClFN2
Molecular Weight
228.690000
Exact Mass
228.082954
SMILES
C1CN(CCN1)CC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKey
PBJVZHBDDDMHIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.56
TPSA
15.27

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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