CAS RN: 1159598-12-5
(S)-(1,4-DIMETHYLPIPERAZIN-2-YL)METHANOL
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250421 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1159598-12-5
- Purity/Analytical Methods: >99.0%
1159598-12-5 / [(2S)-1,4-dimethylpiperazin-2-yl]methanol
(1,4-dimethylpiperazin-2-yl)methanol | DTXSID40381305 | RefChem:204371
Basic Information
CAS
1159598-12-5
Multi CAS
Yes
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
SMILES
CN1CCN([C@@H](C1)CO)C
InChI
InChI=1S/C7H16N2O/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
ZEHZRJZZIYNPKU-ZETCQYMHSA-N
Synonyms
(1,4-dimethylpiperazin-2-yl)methanol
DTXSID40381305
RefChem:204371
DTXCID20332330
(1,4-DIMETHYL-2-PIPERAZINYL)METHANOL
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41
TPSA
26.71
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.5
Consensus LogP
-0.66
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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