![CAS 116797-02-5 4-METHYL-[1,4′]BIPIPERIDINYL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/116797-02-5.gif)
CAS RN: 116797-02-5
4-METHYL-[1,4′]BIPIPERIDINYL
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.20251122 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS116797-02-5
- Purity/Analytical Methods: >99.0%
116797-02-5 / 4-methyl-1-piperidin-4-ylpiperidine
4-methyl-1,4'-bipiperidine | DTXSID80355282 | RefChem:294077
Basic Information
CAS
116797-02-5
Multi CAS
Yes
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
SMILES
CC1CCN(CC1)C2CCNCC2
InChI
InChI=1S/C11H22N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h10-12H,2-9H2,1H3
InChIKey
MPXFUSKDKWZTPI-UHFFFAOYSA-N
Synonyms
4-methyl-1,4'-bipiperidine
DTXSID80355282
RefChem:294077
DTXCID50306342
4-Methyl-[1,4']bipiperidinyl
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.86
TPSA
15.27
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.7
Consensus LogP
1.49
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.79
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
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