CAS RN: 1185310-70-6
2-(Piperidin-3-ylaMino)-nicotinonitrile 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.20260130 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185310-70-6
- Purity/Analytical Methods: >99.0%
1185310-70-6 / 2-(piperidin-3-ylamino)pyridine-3-carbonitrile;hydrochloride
2-(Piperidin-3-ylamino)-nicotinonitrile hydrochloride | 2-(Piperidin-3-ylamino)nicotinonitrile hydrochloride | 2-(piperidin-3-ylamino)pyridine-3-carbonitrile;hydrochloride
Basic Information
CAS
1185310-70-6
Multi CAS
Yes
Molecular Formula
C11H15ClN4
Molecular Weight
238.720000
Exact Mass
238.098524
SMILES
C1CC(CNC1)NC2=C(C=CC=N2)C#N.Cl
InChI
InChI=1S/C11H14N4.ClH/c12-7-9-3-1-6-14-11(9)15-10-4-2-5-13-8-10;/h1,3,6,10,13H,2,4-5,8H2,(H,14,15);1H
InChIKey
GFGHFCIKGXVVHW-UHFFFAOYSA-N
Synonyms
2-(Piperidin-3-ylamino)-nicotinonitrile hydrochloride
2-(Piperidin-3-ylamino)nicotinonitrile hydrochloride
2-(piperidin-3-ylamino)pyridine-3-carbonitrile;hydrochloride
2-[(piperidin-3-yl)amino]pyridine-3-carbonitrile hydrochloride
2-(Piperidin-3-ylaMino)-nicotinonitrile hydrochloride, 98+% C11H15ClN4, MW
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.71
TPSA
60.74
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.08
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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