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CAS 1792190-70-5 tert-butyl cis-3-amino-4-methylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1792190-70-5

tert-butyl cis-3-amino-4-methylpiperidine-1-carboxylate

  • Product code: SSC-079848
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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 1792190-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1792190-70-5 / tert-butyl (3R,4R)-3-amino-4-methylpiperidine-1-carboxylate

Standard CAS: 1792190-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1792190-70-5
Multi CAS
No
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
C[C@@H]1CCN(C[C@@H]1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
OWWPBKGSGNQMPL-BDAKNGLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.56
TPSA
55.56

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.9

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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