CAS RN: 1000853-53-1
(R)-tert-butyl 2-Methylpiperazine-1-carboxylate 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.20260211 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000853-53-1
- Purity/Analytical Methods: >99.0%
1000853-53-1 / tert-butyl (2R)-2-methylpiperazine-1-carboxylate;hydrochloride
1000853-53-1 | (R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride | (R)-1-Boc-2-Methylpiperazine hydrochloride
Basic Information
CAS
1000853-53-1
Multi CAS
Yes
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
C[C@@H]1CNCCN1C(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H/t8-;/m1./s1
InChIKey
CAKKNXNGNSFBHG-DDWIOCJRSA-N
Synonyms
1000853-53-1
(R)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride
(R)-1-Boc-2-Methylpiperazine hydrochloride
1-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2R)-
tert-butyl (2R)-2-methylpiperazine-1-carboxylate;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.52
TPSA
41.57
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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