Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25ml, 10ml, 5ml, 100ml
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
7583-53-1 / (1-methylpiperidin-3-yl)methanol
Basic Information
CAS
7583-53-1
Multi CAS
Yes
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
InChI
InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChIKey
UGXQXVDTGJCQHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.31
TPSA
23.47
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
