ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate

C13H28N2O2Si — CID 140660680

IUPACethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)CN1CCN([Si](C)(C)C)CC1
InChIInChI=1S/C13H28N2O2Si/c1-6-17-13(16)12(2)11-14-7-9-15(10-8-14)18(3,4)5/h12H,6-11H2,1-5H3
InChIKeyBDROBLDEGSCXBZ-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.64
Rot. Bonds5

About ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate

ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate (PubChem CID 140660680) has the molecular formula C13H28N2O2Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
PubChem CID140660680
Molecular FormulaC13H28N2O2Si
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Nameethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)CN1CCN([Si](C)(C)C)CC1
InChIInChI=1S/C13H28N2O2Si/c1-6-17-13(16)12(2)11-14-7-9-15(10-8-14)18(3,4)5/h12H,6-11H2,1-5H3
InChIKeyBDROBLDEGSCXBZ-UHFFFAOYSA-N
XLogP1.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-3-[3-[tris(2-methylpropyl)silyl]imidazolidin-1-yl]propanoate
CID 140660804
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
CID 65250331
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropanoate
CID 79410419
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
CID 154186971
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate?
The IUPAC name of ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate (CID 140660680) is ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate is CCOC(=O)C(C)CN1CCN([Si](C)(C)C)CC1.
What is the InChIKey of ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate?
The InChIKey is BDROBLDEGSCXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2Si/c1-6-17-13(16)12(2)11-14-7-9-15(10-8-14)18(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate?
ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate has a molecular weight of 272.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate is sourced from PubChem (CID 140660680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).