CAS RN: 1185313-80-7
3-(Piperidin-3-ylmethoxymethyl)-pyridine dihydrochloride
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.20250703 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-80-7
- Purity/Analytical Methods: >99.0%
1185313-80-7 / 3-(piperidin-3-ylmethoxymethyl)pyridine;dihydrochloride
3-((Piperidin-3-ylmethoxy)methyl)pyridine dihydrochloride | 3-(Piperidin-3-ylmethoxymethyl)-pyr idine dihydrochloride | 3-(piperidin-3-ylmethoxymethyl)pyridine;dihydrochloride
Basic Information
CAS
1185313-80-7
Multi CAS
No
Molecular Formula
C12H20Cl2N2O
Molecular Weight
279.200000
Exact Mass
278.095269
SMILES
C1CC(CNC1)COCC2=CN=CC=C2.Cl.Cl
InChI
InChI=1S/C12H18N2O.2ClH/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12;;/h1,3,5,7,12,14H,2,4,6,8-10H2;2*1H
InChIKey
LGIVXWBNDTVPMR-UHFFFAOYSA-N
Synonyms
3-((Piperidin-3-ylmethoxy)methyl)pyridine dihydrochloride
3-(Piperidin-3-ylmethoxymethyl)-pyr idine dihydrochloride
3-(piperidin-3-ylmethoxymethyl)pyridine;dihydrochloride
3-(Piperidin-3-ylmethoxymethyl)-pyridine dihydrochloride
DTXSID50671481
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.98
TPSA
34.15
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
2.44
Consensus LogP
2.35
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.69
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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