methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate

C9H20N2O2Si — CID 154186971

IUPACmethyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)CN1CCN([SiH3])CC1
InChIInChI=1S/C9H20N2O2Si/c1-8(9(12)13-2)7-10-3-5-11(14)6-4-10/h8H,3-7H2,1-2,14H3
InChIKeyQMNXVEASSWVZQD-UHFFFAOYSA-N
MW216.36 g/mol
LogP-1.31
Rot. Bonds3

About methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate

methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate (PubChem CID 154186971) has the molecular formula C9H20N2O2Si and a molecular weight of 216.36 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
PubChem CID154186971
Molecular FormulaC9H20N2O2Si
Molecular Weight216.36 g/mol
Exact Mass216.13
IUPAC Namemethyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)CN1CCN([SiH3])CC1
InChIInChI=1S/C9H20N2O2Si/c1-8(9(12)13-2)7-10-3-5-11(14)6-4-10/h8H,3-7H2,1-2,14H3
InChIKeyQMNXVEASSWVZQD-UHFFFAOYSA-N
XLogP-1.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 5-1.31
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

methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
4-(aziridin-1-yl)-3-methylbutan-2-one
CID 45085269
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)butanoate
CID 117242456
methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
CID 102744546
methyl 3-methyl-2-(piperidin-1-ylmethyl)butanoate
CID 117242458

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate (CID 154186971) is methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate is COC(=O)C(C)CN1CCN([SiH3])CC1.
What is the InChIKey of methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate?
The InChIKey is QMNXVEASSWVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2Si/c1-8(9(12)13-2)7-10-3-5-11(14)6-4-10/h8H,3-7H2,1-2,14H3.
What are the key properties of methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate?
methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate has a molecular weight of 216.36 g/mol, XLogP of -1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate is sourced from PubChem (CID 154186971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).