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CAS 1613192-01-0 Tert-Butyl 1-(3-Amino-5-Fluoropyridin-4-Yl)Piperidine-4-Carboxylate molecular structure lightbox
CAS RN: 1613192-01-0

Tert-Butyl 1-(3-Amino-5-Fluoropyridin-4-Yl)Piperidine-4-Carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-068979
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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 1613192-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1613192-01-0 / tert-butyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate

Standard CAS: 1613192-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1613192-01-0
Multi CAS
No
Molecular Formula
C15H22FN3O2
Molecular Weight
295.350000
Exact Mass
295.169605
SMILES
CC(C)(C)OC(=O)C1CCN(CC1)C2=C(C=NC=C2N)F
InChI
InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7,17H2,1-3H3
InChIKey
MOVLIJJQHSYTQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.39
TPSA
68.45

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
1.7
Consensus LogP
2.05
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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