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CAS 2252-63-3 1-(4-Fluorophenyl)piperazine molecular structure lightbox
CAS RN: 2252-63-3

1-(4-Fluorophenyl)piperazine

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250824 100g In stock Shanghai Inquiry
Batchno.20260418 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250108 25g In stock Shanghai, Shandong Inquiry
Batchno.20250110 500g Out of stock 5-7 business days Inquiry
Batchno.20251117 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS2252-63-3
  • Purity/Analytical Methods: >99.0%
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2252-63-3 / 1-(4-fluorophenyl)piperazine

Standard CAS: 2252-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2252-63-3
Multi CAS
No
Molecular Formula
C10H13FN2
Molecular Weight
180.220000
Exact Mass
180.106277
SMILES
C1CN(CCN1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
AVJKDKWRVSSJPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.48
TPSA
15.27

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.94

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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