CAS RN: 1044562-02-8
(R)-3-IsopropylaMino-piperidine-1-carboxylic acid tert-butyl ester
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.20250315 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1044562-02-8
- Purity/Analytical Methods: >99.0%
1044562-02-8 / tert-butyl (3R)-3-(propan-2-ylamino)piperidine-1-carboxylate
(R)-tert-Butyl 3-(isopropylamino)piperidine-1-carboxylate | MFCD18253438 | (R)-3-Isopropylamino-piperidine-1-carboxylic acid tert-butyl ester
Basic Information
CAS
1044562-02-8
Multi CAS
Yes
Molecular Formula
C13H26N2O2
Molecular Weight
242.360000
Exact Mass
242.199428
SMILES
CC(C)N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-10(2)14-11-7-6-8-15(9-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1
InChIKey
LFTQRMKZAXONPV-LLVKDONJSA-N
Synonyms
(R)-tert-Butyl 3-(isopropylamino)piperidine-1-carboxylate
MFCD18253438
(R)-3-Isopropylamino-piperidine-1-carboxylic acid tert-butyl ester
tert-Butyl (R)-3-(isopropylamino)piperidine-1-carboxylate
tert-butyl (3R)-3-(isopropylamino)piperidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.1
TPSA
41.57
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2
Consensus LogP
2.16
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
7-Deaza-2′-C-ethynyladenosine
- CAS RN: 1044589-82-3
- Product Code: starshine_CAS1044589-82-3
- Purity/Analytical method: >99.0%
-
4-Chloro-7-(2-C-ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
- CAS RN: 1044589-83-4
- Product Code: starshine_CAS1044589-83-4
- Purity/Analytical method: >99.0%
-
(R)-6,8-difluorochroman-3-amine (2R,3R)-2,3-dihydroxysuccinate
- CAS RN: 1044597-03-6
- Product Code: SSC-006217
-
7-(iodomethyl)pentadecane
- CAS RN: 1044598-79-9
- Product Code: starshine_CAS1044598-79-9
- Purity/Analytical method: >99.0%
-
2,5-Di(2-C6C10)-3,6-di(thiophen-2-yl)-diketopyrrolopyrrole
- CAS RN: 1044598-80-2
- Product Code: SSC-006218
-
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid
- CAS RN: 1044598-91-5
- Product Code: SSC-006219
![CAS 1044589-83-4 4-Chloro-7-(2-C-ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1044589-83-4.gif)
![CAS 1044598-91-5 4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1044598-91-5.gif)