CAS RN: 130658-65-0
4-HYDROXY-1-(PYRIDIN-4-YL)-PIPERIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS130658-65-0
- Purity/Analytical Methods: >99.0%
130658-65-0 / 1-pyridin-4-ylpiperidin-4-ol
Basic Information
CAS
130658-65-0
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
SMILES
C1CN(CCC1O)C2=CC=NC=C2
InChI
InChI=1S/C10H14N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6,10,13H,3-4,7-8H2
InChIKey
DMQVSUISDOVWEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.69
TPSA
36.36
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 130676-66-3 (2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/130676-66-3.gif)
