CAS RN: 1158544-22-9
Benzenemethanol, 3-amino-4-(4-methyl-1-piperidinyl)-
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.20250822 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1158544-22-9
- Purity/Analytical Methods: >99.0%
1158544-22-9 / [3-amino-4-(4-methylpiperidin-1-yl)phenyl]methanol
(3-Amino-4-(4-methylpiperidin-1-yl)phenyl)methanol | Benzenemethanol, 3-amino-4-(4-methyl-1-piperidinyl)- | [3-amino-4-(4-methylpiperidin-1-yl)phenyl]methanol
Basic Information
CAS
1158544-22-9
Multi CAS
No
Molecular Formula
C13H20N2O
Molecular Weight
220.310000
Exact Mass
220.157563
SMILES
CC1CCN(CC1)C2=C(C=C(C=C2)CO)N
InChI
InChI=1S/C13H20N2O/c1-10-4-6-15(7-5-10)13-3-2-11(9-16)8-12(13)14/h2-3,8,10,16H,4-7,9,14H2,1H3
InChIKey
HJSQIQBSYVDUMX-UHFFFAOYSA-N
Synonyms
(3-Amino-4-(4-methylpiperidin-1-yl)phenyl)methanol
Benzenemethanol, 3-amino-4-(4-methyl-1-piperidinyl)-
[3-amino-4-(4-methylpiperidin-1-yl)phenyl]methanol
SCHEMBL3073387
HJSQIQBSYVDUMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.39
TPSA
49.49
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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