CAS RN: 1286273-05-9
(4-Aminopiperidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone hydrochloride
- Product code: SSC-035848
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 | Hong Kong | Inquiry |
1286273-05-9 / (4-aminopiperidin-1-yl)-(oxan-4-yl)methanone;hydrochloride
Basic Information
CAS
1286273-05-9
Multi CAS
No
Molecular Formula
C11H21ClN2O2
Molecular Weight
248.750000
Exact Mass
248.129156
SMILES
C1CN(CCC1N)C(=O)C2CCOCC2.Cl
InChI
InChI=1S/C11H20N2O2.ClH/c12-10-1-5-13(6-2-10)11(14)9-3-7-15-8-4-9;/h9-10H,1-8,12H2;1H
InChIKey
NBSWOJZKRQEANM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.58
TPSA
55.56
LogP / Solubility
WLOGP
0.78
MLOGP
0.7
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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