CAS RN: 1185307-92-9
1-Pyridin-3-ylMethyl-piperidin-3-ol dihydrochloride, 98+% C11H18Cl2N2O, MW: 265.18
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-92-9
- Purity/Analytical Methods: >99.0%
1185307-92-9 / 1-(pyridin-3-ylmethyl)piperidin-3-ol;dihydrochloride
DTXSID00671476 | 1-((Pyridin-3-yl)methyl)piperidin-3-ol--hydrogen chloride (1/2) | 1-[(Pyridin-3-yl)methyl]piperidin-3-ol--hydrogen chloride (1/2)
Basic Information
CAS
1185307-92-9
Multi CAS
No
Molecular Formula
C11H18Cl2N2O
Molecular Weight
265.180000
Exact Mass
264.079619
SMILES
C1CC(CN(C1)CC2=CN=CC=C2)O.Cl.Cl
InChI
InChI=1S/C11H16N2O.2ClH/c14-11-4-2-6-13(9-11)8-10-3-1-5-12-7-10;;/h1,3,5,7,11,14H,2,4,6,8-9H2;2*1H
InChIKey
LXLJXCYLODQKOU-UHFFFAOYSA-N
Synonyms
DTXSID00671476
1-((Pyridin-3-yl)methyl)piperidin-3-ol--hydrogen chloride (1/2)
1-[(Pyridin-3-yl)methyl]piperidin-3-ol--hydrogen chloride (1/2)
RefChem:1053676
DTXCID40622225
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
69.25
TPSA
36.36
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
1.88
Consensus LogP
1.81
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
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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