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CAS 1408075-51-3 1-Boc-3-aMino-3-trifluoroMethylpiperidine molecular structure lightbox
CAS RN: 1408075-51-3

1-Boc-3-aMino-3-trifluoroMethylpiperidine

  • Product code: SSC-051341
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1408075-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1408075-51-3 / tert-butyl 3-amino-3-(trifluoromethyl)piperidine-1-carboxylate

Standard CAS: 1408075-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408075-51-3
Multi CAS
No
Molecular Formula
C11H19F3N2O2
Molecular Weight
268.280000
Exact Mass
268.139862
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C(F)(F)F)N
InChI
InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-5-10(15,7-16)11(12,13)14/h4-7,15H2,1-3H3
InChIKey
JNEXPUFWSRUNAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.01
TPSA
55.56

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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