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CAS 1262408-83-2 (3-Fluoro-piperidin-3-ylmethyl)-carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 1262408-83-2

(3-Fluoro-piperidin-3-ylmethyl)-carbamic acid tert-butyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250612 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1262408-83-2
  • Purity/Analytical Methods: >99.0%
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1262408-83-2 / tert-butyl N-[(3-fluoropiperidin-3-yl)methyl]carbamate

Standard CAS: 1262408-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262408-83-2
Multi CAS
No
Molecular Formula
C11H21FN2O2
Molecular Weight
232.290000
Exact Mass
232.158706
SMILES
CC(C)(C)OC(=O)NCC1(CCCNC1)F
InChI
InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-8-11(12)5-4-6-13-7-11/h13H,4-8H2,1-3H3,(H,14,15)
InChIKey
WYEDTEGPWDYPHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.18
TPSA
50.36

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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

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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