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CAS RN: 1353986-88-5
1-(3-CyclopropylaMino-piperidin-1-yl)-ethanone
- Product code: SSC-043702
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
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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.
1353986-88-5 / 1-[3-(cyclopropylamino)piperidin-1-yl]ethanone
Basic Information
CAS
1353986-88-5
Multi CAS
No
Molecular Formula
C10H18N2O
Molecular Weight
182.260000
Exact Mass
182.141913
SMILES
CC(=O)N1CCCC(C1)NC2CC2
InChI
InChI=1S/C10H18N2O/c1-8(13)12-6-2-3-10(7-12)11-9-4-5-9/h9-11H,2-7H2,1H3
InChIKey
YPWQBCTVFJVETL-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
51.43
TPSA
32.34
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.3
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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