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CAS 162504-86-1 1-Boc-4-(2-ethoxycarbonylvinyl)piperidine molecular structure lightbox
CAS RN: 162504-86-1

1-Boc-4-(2-ethoxycarbonylvinyl)piperidine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS162504-86-1
  • Purity/Analytical Methods: >99.0%
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162504-86-1 / tert-butyl 4-(3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylate

Standard CAS: 162504-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162504-86-1
Multi CAS
No
Molecular Formula
C15H25NO4
Molecular Weight
283.360000
Exact Mass
283.178358
SMILES
CCOC(=O)C=CC1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO4/c1-5-19-13(17)7-6-12-8-10-16(11-9-12)14(18)20-15(2,3)4/h6-7,12H,5,8-11H2,1-4H3/b7-6+
InChIKey
XOSLGZABCJLALW-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.3
TPSA
55.84

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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