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CAS 1201192-62-2 1-tert-Butyl 3-methyl 4-methylpiperidine-1,3-dicarboxylate molecular structure lightbox
CAS RN: 1201192-62-2

1-tert-Butyl 3-methyl 4-methylpiperidine-1,3-dicarboxylate

  • Product code: SSC-020908
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1201192-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1201192-62-2 / 1-O-tert-butyl 3-O-methyl 4-methylpiperidine-1,3-dicarboxylate

1-TERT-BUTYL 3-METHYL 4-METHYLPIPERIDINE-1,3-DICARBOXYLATE | MFCD21362509 | 1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester

Standard CAS: 1201192-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201192-62-2
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC1CCN(CC1C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-9-6-7-14(8-10(9)11(15)17-5)12(16)18-13(2,3)4/h9-10H,6-8H2,1-5H3
InChIKey
CUBAIJGHSDICOZ-UHFFFAOYSA-N
Synonyms
1-TERT-BUTYL 3-METHYL 4-METHYLPIPERIDINE-1,3-DICARBOXYLATE MFCD21362509 1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester 1-O-tert-butyl 3-O-methyl 4-methylpiperidine-1,3-dicarboxylate 1-tert-butyl 3-methyl (3S,4R)-rel-4-methylpiperidine-1,3-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.09
TPSA
55.84

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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