![CAS 129999-62-8 [1-(2-aminoethyl)-4-piperidinyl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129999-62-8.gif)
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
129999-62-8 / [1-(2-aminoethyl)piperidin-4-yl]methanol
Basic Information
CAS
129999-62-8
Multi CAS
No
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
SMILES
C1CN(CCC1CO)CCN
InChI
InChI=1S/C8H18N2O/c9-3-6-10-4-1-8(7-11)2-5-10/h8,11H,1-7,9H2
InChIKey
GSPGIVPZQUNHRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.3
TPSA
49.49
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
-0.6
Consensus LogP
-0.42
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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