![CAS 1185319-20-3 2-[(Piperidin-3-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185319-20-3.gif)
CAS RN: 1185319-20-3
2-[(Piperidin-3-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74
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.20250917 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-20-3
- Purity/Analytical Methods: >99.0%
1185319-20-3 / 2-(piperidin-3-ylmethylamino)pyridine-3-carbonitrile;hydrochloride
2-[(Piperidin-3-ylmethyl)-amino]-nicotinonitrile hydrochloride | 2-((Piperidin-3-ylmethyl)amino)nicotinonitrile hydrochloride | 2-[(Piperidin-3-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW
Basic Information
CAS
1185319-20-3
Multi CAS
No
Molecular Formula
C12H17ClN4
Molecular Weight
252.740000
Exact Mass
252.114174
SMILES
C1CC(CNC1)CNC2=C(C=CC=N2)C#N.Cl
InChI
InChI=1S/C12H16N4.ClH/c13-7-11-4-2-6-15-12(11)16-9-10-3-1-5-14-8-10;/h2,4,6,10,14H,1,3,5,8-9H2,(H,15,16);1H
InChIKey
CWGMHYNBGMMJID-UHFFFAOYSA-N
Synonyms
2-[(Piperidin-3-ylmethyl)-amino]-nicotinonitrile hydrochloride
2-((Piperidin-3-ylmethyl)amino)nicotinonitrile hydrochloride
2-[(Piperidin-3-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW
2-(piperidin-3-ylmethylamino)pyridine-3-carbonitrile;hydrochloride
2-{[(piperidin-3-yl)methyl]amino}pyridine-3-carbonitrile hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.28
TPSA
60.74
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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