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CAS 358969-71-8 4-AMINO-1-N-ALLOC-PIPERIDINE molecular structure lightbox
CAS RN: 358969-71-8

4-AMINO-1-N-ALLOC-PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS358969-71-8
  • Purity/Analytical Methods: >99.0%
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358969-71-8 / prop-2-enyl 4-aminopiperidine-1-carboxylate

Standard CAS: 358969-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
358969-71-8
Multi CAS
No
Molecular Formula
C9H16N2O2
Molecular Weight
184.240000
Exact Mass
184.121178
InChI
InChI=1S/C9H16N2O2/c1-2-7-13-9(12)11-5-3-8(10)4-6-11/h2,8H,1,3-7,10H2
InChIKey
XKLGRJGBMKOQDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.33
TPSA
55.56

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.4
Consensus LogP
0.59
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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