CAS RN: 1185313-98-7
1-Pyridin-3-ylMethyl-piperidin-3-ylaMine dihydrochloride, 98+% C11H19Cl2N3, MW: 264.19
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.20260403 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-98-7
- Purity/Analytical Methods: >99.0%
1185313-98-7 / 1-(pyridin-3-ylmethyl)piperidin-3-amine;dihydrochloride
1-(pyridin-3-ylmethyl)piperidin-3-amine dihydrochloride | 1-Pyridin-3-ylmethyl-piperidin-3-ylamine dihydrochloride | 1-(pyridin-3-ylmethyl)piperidin-3-amine;dihydrochloride
Basic Information
CAS
1185313-98-7
Multi CAS
No
Molecular Formula
C11H19Cl2N3
Molecular Weight
264.190000
Exact Mass
263.095603
SMILES
C1CC(CN(C1)CC2=CN=CC=C2)N.Cl.Cl
InChI
InChI=1S/C11H17N3.2ClH/c12-11-4-2-6-14(9-11)8-10-3-1-5-13-7-10;;/h1,3,5,7,11H,2,4,6,8-9,12H2;2*1H
InChIKey
CUUMJOMHAXBASJ-UHFFFAOYSA-N
Synonyms
1-(pyridin-3-ylmethyl)piperidin-3-amine dihydrochloride
1-Pyridin-3-ylmethyl-piperidin-3-ylamine dihydrochloride
1-(pyridin-3-ylmethyl)piperidin-3-amine;dihydrochloride
DTXSID20671478
AKOS015940987
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.22
TPSA
42.15
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.85
Consensus LogP
1.78
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly 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)
-3.02
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 1185317-13-8 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinic acid Methyl ester coMpoundwith trifluoro-acetic acid, 98+% C15H20F3N3O4, MW: 363.34 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185317-13-8.gif)