CAS RN: 1185313-88-5
1-(6-Chloro-pyridin-3-ylMethyl)-piperidin-3-ol dihydrochloride, 98+% C11H17Cl3N2O, MW: 313.65
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-88-5
- Purity/Analytical Methods: >99.0%
1185313-88-5 / 1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-ol;dihydrochloride
1-(6-Chloro-pyridin-3-ylmethyl)-piperidin-3-ol dihydrochloride | 1-((6-Chloropyridin-3-yl)methyl)piperidin-3-ol dihydrochloride | 1-[(6-chloropyridin-3-yl)methyl]piperidin-3-ol;dihydrochloride
Basic Information
CAS
1185313-88-5
Multi CAS
No
Molecular Formula
C11H17Cl3N2O
Molecular Weight
299.600000
Exact Mass
298.040646
SMILES
C1CC(CN(C1)CC2=CN=C(C=C2)Cl)O.Cl.Cl
InChI
InChI=1S/C11H15ClN2O.2ClH/c12-11-4-3-9(6-13-11)7-14-5-1-2-10(15)8-14;;/h3-4,6,10,15H,1-2,5,7-8H2;2*1H
InChIKey
NJVZFSQGCXNMCE-UHFFFAOYSA-N
Synonyms
1-(6-Chloro-pyridin-3-ylmethyl)-piperidin-3-ol dihydrochloride
1-((6-Chloropyridin-3-yl)methyl)piperidin-3-ol dihydrochloride
1-[(6-chloropyridin-3-yl)methyl]piperidin-3-ol;dihydrochloride
DTXSID90671485
AKOS015940857
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.26
TPSA
36.36
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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