CAS RN: 1185307-98-5
(1-Pyridin-3-ylMethyl-piperidin-3-yl)-Methanol dihydrochloride, 98+% C12H20Cl2N2O, MW: 279.21
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.20250128 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-98-5
- Purity/Analytical Methods: >99.0%
1185307-98-5 / [1-(pyridin-3-ylmethyl)piperidin-3-yl]methanol;dihydrochloride
(1-Pyridin-3-ylmethyl-piperidin-3-yl)-methanol dihydrochloride | (1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanol dihydrochloride | [1-(pyridin-3-ylmethyl)piperidin-3-yl]methanol;dihydrochloride
Basic Information
CAS
1185307-98-5
Multi CAS
Yes
Molecular Formula
C12H20Cl2N2O
Molecular Weight
279.200000
Exact Mass
278.095269
SMILES
C1CC(CN(C1)CC2=CN=CC=C2)CO.Cl.Cl
InChI
InChI=1S/C12H18N2O.2ClH/c15-10-12-4-2-6-14(9-12)8-11-3-1-5-13-7-11;;/h1,3,5,7,12,15H,2,4,6,8-10H2;2*1H
InChIKey
ZTRYRJCYQAZHHI-UHFFFAOYSA-N
Synonyms
(1-Pyridin-3-ylmethyl-piperidin-3-yl)-methanol dihydrochloride
(1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanol dihydrochloride
[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanol;dihydrochloride
[1-(3-pyridylmethyl)-3-piperidyl]methanol dihydrochloride
DTXSID60671477
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.82
TPSA
36.36
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.13
Consensus LogP
2.05
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.91
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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