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CAS 877859-58-0 tert-butyl 4-((cyclopropylamino)methyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 877859-58-0

tert-butyl 4-((cyclopropylamino)methyl)piperidine-1-carboxylate

  • Product code: SSC-198067
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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: 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 877859-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

877859-58-0 / tert-butyl 4-[(cyclopropylamino)methyl]piperidine-1-carboxylate

Standard CAS: 877859-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877859-58-0
Multi CAS
No
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-6-11(7-9-16)10-15-12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKey
CZXMVDICWYFHTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.56
TPSA
41.57

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2
Consensus LogP
2.17
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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