![CAS 1955515-62-4 2-[(1-methylpiperidin-4-yl)oxy]acetic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1955515-62-4.gif)
CAS RN: 1955515-62-4
2-[(1-methylpiperidin-4-yl)oxy]acetic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1955515-62-4
- Purity/Analytical Methods: >99.0%
1955515-62-4 / 2-(1-methylpiperidin-4-yl)oxyacetic acid;hydrochloride
Basic Information
CAS
1955515-62-4
Multi CAS
No
Molecular Formula
C8H16ClNO3
Molecular Weight
209.670000
Exact Mass
209.081871
SMILES
CN1CCC(CC1)OCC(=O)O.Cl
InChI
InChI=1S/C8H15NO3.ClH/c1-9-4-2-7(3-5-9)12-6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKey
IPOJANCGFOWVAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.35
TPSA
49.77
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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