CAS RN: 1185319-15-6
(3-Nitro-pyridin-2-yl)-piperidin-3-ylMethyl-aMine hydrochloride, 98+% C11H17ClN4O2, MW: 272.73
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.20250409 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-15-6
- Purity/Analytical Methods: >99.0%
1185319-15-6 / 3-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
(3-Nitro-pyridin-2-yl)-piperidin-3-ylmethyl-amine hydrochloride | 3-Nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine hydrochloride | (3-Nitro-pyridin-2-yl)-piperidin-3-ylMethyl-aMine hydrochloride, 98+% C11H17ClN4O2, MW
Basic Information
CAS
1185319-15-6
Multi CAS
No
Molecular Formula
C11H17ClN4O2
Molecular Weight
272.730000
Exact Mass
272.104004
SMILES
C1CC(CNC1)CNC2=C(C=CC=N2)[N+](=O)[O-].Cl
InChI
InChI=1S/C11H16N4O2.ClH/c16-15(17)10-4-2-6-13-11(10)14-8-9-3-1-5-12-7-9;/h2,4,6,9,12H,1,3,5,7-8H2,(H,13,14);1H
InChIKey
NNOIZCJOYQXNKJ-UHFFFAOYSA-N
Synonyms
(3-Nitro-pyridin-2-yl)-piperidin-3-ylmethyl-amine hydrochloride
3-Nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine hydrochloride
(3-Nitro-pyridin-2-yl)-piperidin-3-ylMethyl-aMine hydrochloride, 98+% C11H17ClN4O2, MW
3-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
3-nitro-N-[(piperidin-3-yl)methyl]pyridin-2-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.22
TPSA
80.09
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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