![CAS 1185308-09-1 2-[(Piperidin-3-ylMethyl)-aMino]-nicotinic acid Methyl ester dihydrochloride, 98+% C13H21Cl2N3O2, MW: 322.24 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185308-09-1.gif)
CAS RN: 1185308-09-1
2-[(Piperidin-3-ylMethyl)-aMino]-nicotinic acid Methyl ester dihydrochloride, 98+% C13H21Cl2N3O2, MW: 322.24
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.20250527 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185308-09-1
- Purity/Analytical Methods: >99.0%
1185308-09-1 / methyl 2-(piperidin-3-ylmethylamino)pyridine-3-carboxylate;dihydrochloride
Methyl 2-((piperidin-3-ylmethyl)amino)nicotinate dihydrochloride | methyl 2-(piperidin-3-ylmethylamino)pyridine-3-carboxylate;dihydrochloride | DTXSID60671452
Basic Information
CAS
1185308-09-1
Multi CAS
Yes
Molecular Formula
C13H21Cl2N3O2
Molecular Weight
322.200000
Exact Mass
321.101082
SMILES
COC(=O)C1=C(N=CC=C1)NCC2CCCNC2.Cl.Cl
InChI
InChI=1S/C13H19N3O2.2ClH/c1-18-13(17)11-5-3-7-15-12(11)16-9-10-4-2-6-14-8-10;;/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,15,16);2*1H
InChIKey
GAKIVIRXXXIVNQ-UHFFFAOYSA-N
Synonyms
Methyl 2-((piperidin-3-ylmethyl)amino)nicotinate dihydrochloride
methyl 2-(piperidin-3-ylmethylamino)pyridine-3-carboxylate;dihydrochloride
DTXSID60671452
Methyl 2-[(3-piperidinylmethyl)amino]nicotinate dihydrochloride
AKOS015940970
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.16
TPSA
63.25
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1185309-80-1 3,4,5,6-TETRAHYDRO-2H-[1,2′]BIPYRIDINYL-3-YLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6797788.gif)
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