CAS RN: 115655-08-8
(S)-(+)-NIPECOTIC ACID ETHYL ESTER HCL
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.20260203 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS115655-08-8
- Purity/Analytical Methods: >99.0%
115655-08-8 / ethyl (3S)-piperidine-3-carboxylate;hydrochloride
DTXSID30512500 | Ethyl piperidine-3-carboxylate--hydrogen chloride (1/1) | RefChem:1085092
Basic Information
CAS
115655-08-8
Multi CAS
Yes
Molecular Formula
C8H16ClNO2
Molecular Weight
193.670000
Exact Mass
193.086956
SMILES
CCOC(=O)[C@H]1CCCNC1.Cl
InChI
InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKey
ZCEGLOKZSLNARG-FJXQXJEOSA-N
Synonyms
DTXSID30512500
Ethyl piperidine-3-carboxylate--hydrogen chloride (1/1)
RefChem:1085092
DTXCID90463307
ethyl 3-piperidinecarboxylate hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.47
TPSA
38.33
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-3.21
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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