CAS RN: 1016258-69-7
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
- Product code: SSC-002461
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1016258-69-7 / 1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate | MFCD14525454 | 1-BOC-4-(AMINOMETHYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
Basic Information
CAS
1016258-69-7
Multi CAS
Yes
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C14H26N2O4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10,15H2,1-4H3
InChIKey
UHHUEAGCENEXAJ-UHFFFAOYSA-N
Synonyms
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
MFCD14525454
1-BOC-4-(AMINOMETHYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
1-O-tert-butyl 4-O-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
1,4-Piperidinedicarboxylic acid, 4-(aminomethyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.16
TPSA
81.86
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
0.7
Consensus LogP
1.19
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(Tert-butoxycarbonyl)-5,5-dimethylpyrrolidine-2-carboxylic acid
- CAS RN: 900158-99-8
- Product Code: SSC-202374
-
1-(Pyridin-4-yl)butan-1-amine dihydrochloride
- CAS RN: 2097938-67-3
- Product Code: LINP901236
-
1-benzyl-4-(4-broMophenyl)piperidin-4-aMine
- CAS RN: 1823271-32-4
- Product Code: LINM927175
-
1-benzyl-4-(纬-pyridyl)-1,2,5,6-tetrahydropyridine
- CAS RN: 196192-00-4
- Product Code: LINB927323
-
1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine
- CAS RN: 1833637-34-5
- Product Code: LINN926573
-
![CAS 1833637-34-5 1-benzyl-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)piperidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1833637-34-5.png)
