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CAS 169751-00-2 1-Piperidinecarboxylic acid, 3-(fluoroMethyl)-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 169751-00-2

1-Piperidinecarboxylic acid, 3-(fluoroMethyl)-, 1,1-diMethylethyl ester

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251203 100mg Out of stock Inquiry
Batchno.20260510 1g Out of stock Inquiry
Batchno.20250625 250mg Out of stock Inquiry
  • Product code: starshine_CAS169751-00-2
  • Purity/Analytical Methods: >99.0%
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169751-00-2 / tert-butyl 3-(fluoromethyl)piperidine-1-carboxylate

Standard CAS: 169751-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169751-00-2
Multi CAS
No
Molecular Formula
C11H20FNO2
Molecular Weight
217.280000
Exact Mass
217.147807
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CF
InChI
InChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
InChIKey
WVPOYHXYOTZWPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.51
TPSA
29.54

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

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

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