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CAS 1864063-76-2 tert-butyl 4-(ethylamino)-3,3-difluoropiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1864063-76-2

tert-butyl 4-(ethylamino)-3,3-difluoropiperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1864063-76-2
  • Purity/Analytical Methods: >99.0%
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1864063-76-2 / tert-butyl 4-(ethylamino)-3,3-difluoropiperidine-1-carboxylate

Standard CAS: 1864063-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864063-76-2
Multi CAS
No
Molecular Formula
C12H22F2N2O2
Molecular Weight
264.310000
Exact Mass
264.164934
SMILES
CCNC1CCN(CC1(F)F)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22F2N2O2/c1-5-15-9-6-7-16(8-12(9,13)14)10(17)18-11(2,3)4/h9,15H,5-8H2,1-4H3
InChIKey
JUILZUHYPYRALQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.84
TPSA
41.57

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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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