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CAS 200184-53-8 S-METHYL 1-BOC-PIPERIDINE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 200184-53-8

S-METHYL 1-BOC-PIPERIDINE-2-CARBOXYLATE

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS200184-53-8
  • Purity/Analytical Methods: >99.0%
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200184-53-8 / 1-O-tert-butyl 2-O-methyl (2S)-piperidine-1,2-dicarboxylate

Standard CAS: 200184-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200184-53-8
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)OC
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
PVMJFJDVCVNWQN-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.6
TPSA
55.84

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.82

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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