![CAS 1185319-31-6 3-AMino-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3′-carbonitrile hydrochloride, 98+% C11H15ClN4, MW: 238.72 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185319-31-6.gif)
CAS RN: 1185319-31-6
3-AMino-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3′-carbonitrile hydrochloride, 98+% C11H15ClN4, MW: 238.72
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.20250928 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-31-6
- Purity/Analytical Methods: >99.0%
1185319-31-6 / 2-(3-aminopiperidin-1-yl)pyridine-3-carbonitrile;hydrochloride
2-(3-Aminopiperidin-1-yl)nicotinonitrile hydrochloride | 2-(3-aminopiperidyl)pyridine-3-carbonitrile, chloride | 2-(3-aminopiperidin-1-yl)pyridine-3-carbonitrile;hydrochloride
Basic Information
CAS
1185319-31-6
Multi CAS
Yes
Molecular Formula
C11H15ClN4
Molecular Weight
238.720000
Exact Mass
238.098524
SMILES
C1CC(CN(C1)C2=C(C=CC=N2)C#N)N.Cl
InChI
InChI=1S/C11H14N4.ClH/c12-7-9-3-1-5-14-11(9)15-6-2-4-10(13)8-15;/h1,3,5,10H,2,4,6,8,13H2;1H
InChIKey
RPXRNHFLOKUTNC-UHFFFAOYSA-N
Synonyms
2-(3-Aminopiperidin-1-yl)nicotinonitrile hydrochloride
2-(3-aminopiperidyl)pyridine-3-carbonitrile, chloride
2-(3-aminopiperidin-1-yl)pyridine-3-carbonitrile;hydrochloride
2-(3-AMINOPIPERIDIN-1-YL)PYRIDINE-3-CARBONITRILE HYDROCHLORIDE
3-AMino-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3'-carbonitrile hydrochloride, 98+% C11H15ClN4, MW
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.62
TPSA
65.94
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1185319-44-1 5′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-ylaMine hydrochloride, 98+% C11H18ClN3, MW: 227.73 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185319-44-1.gif)
