![CAS 889952-13-0 [1,4′]BIPIPERIDINYL-3-CARBOXYLIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889952-13-0.gif)
CAS RN: 889952-13-0
[1,4′]BIPIPERIDINYL-3-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-200765
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
889952-13-0 / methyl (3S)-1-piperidin-4-ylpiperidine-3-carboxylate
Basic Information
CAS
889952-13-0
Multi CAS
Yes
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
InChI
InChI=1S/C12H22N2O2/c1-16-12(15)10-3-2-8-14(9-10)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKey
KVPXVSDIYOYVKS-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.2
TPSA
41.57
LogP / Solubility
WLOGP
0.62
MLOGP
0.55
XLogP3
0.7
Consensus LogP
0.62
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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