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CAS 874218-25-4 tert-butyl 3-(piperidin-3-yl)pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 874218-25-4

tert-butyl 3-(piperidin-3-yl)pyrrolidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS874218-25-4
  • Purity/Analytical Methods: >99.0%
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874218-25-4 / tert-butyl 3-piperidin-3-ylpyrrolidine-1-carboxylate

Standard CAS: 874218-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874218-25-4
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)16-8-6-12(10-16)11-5-4-7-15-9-11/h11-12,15H,4-10H2,1-3H3
InChIKey
BXOITTLUZJMZAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.51
TPSA
41.57

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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