CAS RN: 1074-54-0
alpha-methylpiperazine-1-ethanol
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.20250313 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1074-54-0
- Purity/Analytical Methods: >99.0%
1074-54-0 / 1-piperazin-1-ylpropan-2-ol
2-(piperazin-1-yl)propan-1-ol | 2-piperazin-1-ylpropan-1-ol | 1-Piperazineethanol, a-methyl-
Basic Information
CAS
1074-54-0
Multi CAS
Yes
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
SMILES
CC(CN1CCNCC1)O
InChI
InChI=1S/C7H16N2O/c1-7(10)6-9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3
InChIKey
XAKIZRLIXGLPBW-UHFFFAOYSA-N
Synonyms
2-(piperazin-1-yl)propan-1-ol
2-piperazin-1-ylpropan-1-ol
1-Piperazineethanol, a-methyl-
MFCD12781645
2-Piperazin-1-yl-propan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.99
TPSA
35.5
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.65
XLogP3
-0.6
Consensus LogP
-0.66
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-4.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
