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CAS 1016167-46-6 tert-Butyl 4-(6-fluoropyridin-2-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1016167-46-6

tert-Butyl 4-(6-fluoropyridin-2-yl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002440
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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 1016167-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1016167-46-6 / tert-butyl 4-(6-fluoro-2-pyridinyl)piperazine-1-carboxylate

tert-Butyl 4-(6-fluoropyridin-2-yl)piperazine-1-carboxylate | MFCD28013436 | SCHEMBL15047026

Standard CAS: 1016167-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1016167-46-6
Multi CAS
No
Molecular Formula
C14H20FN3O2
Molecular Weight
281.330000
Exact Mass
281.153955
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CC=C2)F
InChI
InChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3
InChIKey
AESFVWLAXBKWOI-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-(6-fluoropyridin-2-yl)piperazine-1-carboxylate MFCD28013436 SCHEMBL15047026 AKOS027447923 1-Boc-4-(6-fluoro-2-pyridyl)piperazine

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.22
TPSA
45.67

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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