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CAS 1824513-13-4 tert-butyl 3-(piperidin-4-yloxy)pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1824513-13-4

tert-butyl 3-(piperidin-4-yloxy)pyrrolidine-1-carboxylate

  • Product code: SSC-084425
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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 1824513-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1824513-13-4 / tert-butyl 3-piperidin-4-yloxypyrrolidine-1-carboxylate

Standard CAS: 1824513-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1824513-13-4
Multi CAS
No
Molecular Formula
C14H26N2O3
Molecular Weight
270.370000
Exact Mass
270.194343
SMILES
CC(C)(C)OC(=O)N1CCC(C1)OC2CCNCC2
InChI
InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-9-6-12(10-16)18-11-4-7-15-8-5-11/h11-12,15H,4-10H2,1-3H3
InChIKey
JVTZDQRIYKNYSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.19
TPSA
50.8

LogP / Solubility

WLOGP
1.76
MLOGP
1.56
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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