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CAS 914768-62-0 Piperazine, 1-(2-fluoro-1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 914768-62-0

Piperazine, 1-(2-fluoro-1,1-dimethylethyl)-

  • Product code: SSC-204667
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 914768-62-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

914768-62-0 / 1-(1-fluoro-2-methylpropan-2-yl)piperazine

Standard CAS: 914768-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914768-62-0
Multi CAS
No
Molecular Formula
C8FH17N2
Molecular Weight
160.230000
Exact Mass
160.137577
InChI
InChI=1S/C8H17FN2/c1-8(2,7-9)11-5-3-10-4-6-11/h10H,3-7H2,1-2H3
InChIKey
INKMJKSUHHBKCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.5
TPSA
15.27

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
0.6
Consensus LogP
0.6
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.24

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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