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CAS 959237-16-2 tert-butyl 4-(4-aMinopiperidin-1-yl) molecular structure lightbox
CAS RN: 959237-16-2

tert-butyl 4-(4-aMinopiperidin-1-yl)

  • Product code: SSC-211618
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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: 0.25g, 1g, 5g
  • 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 959237-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

959237-16-2 / tert-butyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate

Standard CAS: 959237-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959237-16-2
Multi CAS
No
Molecular Formula
C15H29N3O2
Molecular Weight
283.410000
Exact Mass
283.225977
InChI
InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-10-6-13(7-11-18)17-8-4-12(16)5-9-17/h12-13H,4-11,16H2,1-3H3
InChIKey
AHAQZBVUGZUUMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.61
TPSA
58.8

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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