![CAS 123987-13-3 3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123987-13-3.gif)
CAS RN: 123987-13-3
3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANOL
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.20251025 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS123987-13-3
- Purity/Analytical Methods: >99.0%
123987-13-3 / [3-(4-methylpiperazin-1-yl)phenyl]methanol
Basic Information
CAS
123987-13-3
Multi CAS
No
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
SMILES
CN1CCN(CC1)C2=CC=CC(=C2)CO
InChI
InChI=1S/C12H18N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9,15H,5-8,10H2,1H3
InChIKey
WUTDMUUJMMFJMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.07
TPSA
26.71
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
1
Consensus LogP
0.92
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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