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CAS 1303972-97-5 tert-butyl 4-fluoro-3-(hydroxyMethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1303972-97-5

tert-butyl 4-fluoro-3-(hydroxyMethyl)piperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1303972-97-5
  • Purity/Analytical Methods: >99.0%
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1303972-97-5 / tert-butyl 4-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 1303972-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1303972-97-5
Multi CAS
No
Molecular Formula
C11H20FNO3
Molecular Weight
233.280000
Exact Mass
233.142722
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)CO)F
InChI
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-9(12)8(6-13)7-14/h8-9,14H,4-7H2,1-3H3
InChIKey
JOKNUZASZUDOEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.9
TPSA
49.77

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-3.03

Drug-likeness / Medicinal Chemistry

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

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