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CAS 1039741-10-0 2-Methyl-2-propanyl (3R,4S)-4-amino-3-methyl-1-piperidinecarboxyl ate molecular structure lightbox
CAS RN: 1039741-10-0

2-Methyl-2-propanyl (3R,4S)-4-amino-3-methyl-1-piperidinecarboxyl ate

  • Product code: SSC-005633
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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: 0.1g, 0.25g, 1g
  • Available purity: ＞97%
  • 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 1039741-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1039741-10-0 / tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate

TERT-BUTYL 4-AMINO-3-METHYLPIPERIDINE-1-CARBOXYLATE | DTXSID30680016 | RefChem:383576

Standard CAS: 1039741-10-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1039741-10-0
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
C[C@H]1CN(CC[C@H]1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKey
UMBWKSXEVUZEMI-DTWKUNHWSA-N
Synonyms
TERT-BUTYL 4-AMINO-3-METHYLPIPERIDINE-1-CARBOXYLATE DTXSID30680016 RefChem:383576 DTXCID00630765 821-933-7

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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