CAS RN: 160357-89-1
1-PYRIDIN-4-YLMETHYL-PIPERIDIN-4-YLAMINE
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.20260419 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS160357-89-1
- Purity/Analytical Methods: >99.0%
160357-89-1 / 1-(pyridin-4-ylmethyl)piperidin-4-amine
Basic Information
CAS
160357-89-1
Multi CAS
No
Molecular Formula
C11H17N3
Molecular Weight
191.270000
Exact Mass
191.142248
SMILES
C1CN(CCC1N)CC2=CC=NC=C2
InChI
InChI=1S/C11H17N3/c12-11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9,12H2
InChIKey
XFBCPLXWYFVCTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.72
TPSA
42.15
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.3
Consensus LogP
0.73
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.17
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)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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