CAS RN: 1185313-45-4
1-(6-Methoxy-pyridin-3-ylMethyl)-piperidin-3-ylaMine dihydrochloride, 98+% C12H21Cl2N3O, MW: 294.22
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.20250408 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-45-4
- Purity/Analytical Methods: >99.0%
1185313-45-4 / 1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-amine;dihydrochloride
1-(6-Methoxy-pyridin-3-ylmethyl)-piperidin-3-ylamine dihydrochloride | 1-((6-Methoxypyridin-3-yl)methyl)piperidin-3-amine dihydrochloride | 1-[(6-methoxypyridin-3-yl)methyl]piperidin-3-amine;dihydrochloride
Basic Information
CAS
1185313-45-4
Multi CAS
No
Molecular Formula
C12H21Cl2N3O
Molecular Weight
294.220000
Exact Mass
293.106168
SMILES
COC1=NC=C(C=C1)CN2CCCC(C2)N.Cl.Cl
InChI
InChI=1S/C12H19N3O.2ClH/c1-16-12-5-4-10(7-14-12)8-15-6-2-3-11(13)9-15;;/h4-5,7,11H,2-3,6,8-9,13H2,1H3;2*1H
InChIKey
KKSSFRWEWRHEGV-UHFFFAOYSA-N
Synonyms
1-(6-Methoxy-pyridin-3-ylmethyl)-piperidin-3-ylamine dihydrochloride
1-((6-Methoxypyridin-3-yl)methyl)piperidin-3-amine dihydrochloride
1-[(6-methoxypyridin-3-yl)methyl]piperidin-3-amine;dihydrochloride
peridin-3-ylamine dihydrochloride
DTXSID10671508
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.77
TPSA
51.38
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-3.2
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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![CAS 1185313-62-5 3′-Chloro-5′-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-3-ylaMine hydrochloride, 98+% C11H14Cl2F3N3, MW: 316.15 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185313-62-5.gif)
