CAS RN: 1179364-81-8
N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride
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.20250720 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1179364-81-8
- Purity/Analytical Methods: >99.0%
1179364-81-8 / N,N-dimethyl-3-piperazin-1-ylpropanamide;dihydrochloride
N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride | N,N-dimethyl-3-piperazin-1-ylpropanamide;dihydrochloride | MFCD09996861
Basic Information
CAS
1179364-81-8
Multi CAS
No
Molecular Formula
C9H21Cl2N3O
Molecular Weight
258.190000
Exact Mass
257.106168
SMILES
CN(C)C(=O)CCN1CCNCC1.Cl.Cl
InChI
InChI=1S/C9H19N3O.2ClH/c1-11(2)9(13)3-6-12-7-4-10-5-8-12;;/h10H,3-8H2,1-2H3;2*1H
InChIKey
VDLCRZYXWIEQJI-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride
N,N-dimethyl-3-piperazin-1-ylpropanamide;dihydrochloride
MFCD09996861
MFCD11983205
AKOS030504545
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.12
TPSA
35.58
LogP / Solubility
WLOGP
0.21
MLOGP
0.19
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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