methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride

C9H19ClN2O2 — CID 140645024

IUPACmethyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)N1CCNCC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-9(2,8(12)13-3)11-6-4-10-5-7-11;/h10H,4-7H2,1-3H3;1H
InChIKeyUHACEJLCUVNYQI-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.26
Rot. Bonds2

About methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride

methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride (PubChem CID 140645024) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride
PubChem CID140645024
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Namemethyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)N1CCNCC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-9(2,8(12)13-3)11-6-4-10-5-7-11;/h10H,4-7H2,1-3H3;1H
InChIKeyUHACEJLCUVNYQI-UHFFFAOYSA-N
XLogP0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl piperazine-1-acetate
CID 207112
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Tert-butyl 2-(piperazin-1-yl)acetate dihydrochloride
CID 2757325
tert-Butyl 2-piperazinoacetate
CID 2757326
Methyl 2-(piperazin-1-yl)acetate hydrochloride
CID 17559628
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Methyl 2-(piperazin-1-yl)acetate dihydrochloride
CID 53398818
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
Methyl 3-(piperazin-1-yl)oxetane-3-carboxylate
CID 75481681
2-Methyl-2-(piperazin-1-yl)propanoic acid dihydrochloride
CID 126809353
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride (CID 140645024) is methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride is COC(=O)C(C)(C)N1CCNCC1.Cl.
What is the InChIKey of methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride?
The InChIKey is UHACEJLCUVNYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-9(2,8(12)13-3)11-6-4-10-5-7-11;/h10H,4-7H2,1-3H3;1H.
What are the key properties of methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride?
methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-piperazin-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 140645024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).