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CAS RN: 1353973-52-0
1-(3-IsopropylaMino-piperidin-1-yl)-ethanone
- Product code: SSC-043687
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1353973-52-0 / 1-[3-(propan-2-ylamino)piperidin-1-yl]ethanone
Basic Information
CAS
1353973-52-0
Multi CAS
No
Molecular Formula
C10H20N2O
Molecular Weight
184.280000
Exact Mass
184.157563
SMILES
CC(C)NC1CCCN(C1)C(=O)C
InChI
InChI=1S/C10H20N2O/c1-8(2)11-10-5-4-6-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3
InChIKey
MDHFVVCGPWZZRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.55
TPSA
32.34
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
0.6
Consensus LogP
0.82
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1353974-36-3 4-[(6-CyclopropylaMino-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82580838(1).gif)
![CAS 1353974-41-0 [1-(2-Chloro-pyridine-3-carbonyl)-piperidin-3-ylMethyl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52577363(1).gif)
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