CAS RN: 1286264-64-9
1-(4-Aminopiperidin-1-yl)-2,2-dimethylpropan-1-one hydrochloride
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.20250827 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1286264-64-9
- Purity/Analytical Methods: >99.0%
1286264-64-9 / 1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
Basic Information
CAS
1286264-64-9
Multi CAS
No
Molecular Formula
C10H21ClN2O
Molecular Weight
220.740000
Exact Mass
220.134241
SMILES
CC(C)(C)C(=O)N1CCC(CC1)N.Cl
InChI
InChI=1S/C10H20N2O.ClH/c1-10(2,3)9(13)12-6-4-8(11)5-7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKey
HFVRCQFTPHQEQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.49
TPSA
46.33
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.07
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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