CAS RN: 1169762-18-8
(3R)-3-(Boc-amino)-3-methylpiperidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250731 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-016795
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: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1169762-18-8 / tert-butyl N-[(3R)-3-methylpiperidin-3-yl]carbamate
tert-butyl (3-methylpiperidin-3-yl)carbamate | tert-butyl n-(3-methylpiperidin-3-yl)carbamate | 3-(Boc-amino)-3-methylpiperidine
Basic Information
CAS
1169762-18-8
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
C[C@]1(CCCNC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-11(4)6-5-7-12-8-11/h12H,5-8H2,1-4H3,(H,13,14)/t11-/m1/s1
InChIKey
IKLFTJQKKCELGD-LLVKDONJSA-N
Synonyms
tert-butyl (3-methylpiperidin-3-yl)carbamate
tert-butyl n-(3-methylpiperidin-3-yl)carbamate
3-(Boc-amino)-3-methylpiperidine
TERT-BUTYL 3-METHYLPIPERIDIN-3-YL-CARBAMATE
MFCD13194151
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.88
TPSA
50.36
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.2
Consensus LogP
1.44
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.85
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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