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CAS 1558365-90-4 tert-butyl 4-amino-2-isopropylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1558365-90-4

tert-butyl 4-amino-2-isopropylpiperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 25mg / 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1558365-90-4
  • Purity/Analytical Methods: >99.0%
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1558365-90-4 / tert-butyl 4-amino-2-propan-2-ylpiperidine-1-carboxylate

Standard CAS: 1558365-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1558365-90-4
Multi CAS
No
Molecular Formula
C13H26N2O2
Molecular Weight
242.360000
Exact Mass
242.199428
SMILES
CC(C)C1CC(CCN1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H26N2O2/c1-9(2)11-8-10(14)6-7-15(11)12(16)17-13(3,4)5/h9-11H,6-8,14H2,1-5H3
InChIKey
AYGAKZNBXDBMCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.78
TPSA
55.56

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.52

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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