CAS RN: 1018826-44-2
(4-Methylpiperazin-1-yl)(piperidin-4-yl)methanone hydrochloride
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.20251122 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINM913637
1018826-44-2 / (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
(4-Methylpiperazin-1-yl)(piperidin-4-yl)methanone hydrochloride | 1-methyl-4-(piperidine-4-carbonyl)piperazine hydrochloride | (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
Basic Information
CAS
1018826-44-2
Multi CAS
No
Molecular Formula
C11H22ClN3O
Molecular Weight
247.760000
Exact Mass
247.145140
SMILES
CN1CCN(CC1)C(=O)C2CCNCC2.Cl
InChI
InChI=1S/C11H21N3O.ClH/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h10,12H,2-9H2,1H3;1H
InChIKey
SBWABQCOQBWZDQ-UHFFFAOYSA-N
Synonyms
(4-Methylpiperazin-1-yl)(piperidin-4-yl)methanone hydrochloride
1-methyl-4-(piperidine-4-carbonyl)piperazine hydrochloride
(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
(4-Methyl-1-piperazinyl)(4-piperidinyl)methanonehydrochloride
(4-Methylpiperazin-1-yl)(piperidin-4-yl)methanonehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.92
TPSA
35.58
LogP / Solubility
WLOGP
0.18
MLOGP
0.17
XLogP3
0.18
Consensus LogP
0.18
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-4.1
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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