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CAS 1420956-33-7 tert-butyl 4-Methyl-4-(MethylaMino)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1420956-33-7

tert-butyl 4-Methyl-4-(MethylaMino)piperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1420956-33-7
  • Purity/Analytical Methods: >99.0%
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1420956-33-7 / tert-butyl 4-methyl-4-(methylamino)piperidine-1-carboxylate

Standard CAS: 1420956-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420956-33-7
Multi CAS
No
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)NC
InChI
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-8-6-12(4,13-5)7-9-14/h13H,6-9H2,1-5H3
InChIKey
FVKGJPQRYGYANU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.51
TPSA
41.57

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.4
Consensus LogP
1.72
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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