ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate

C15H29NO4 — CID 11000688

IUPACethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(COOC(C)(C)C)CN1CCCCC1
InChIInChI=1S/C15H29NO4/c1-5-18-14(17)13(12-19-20-15(2,3)4)11-16-9-7-6-8-10-16/h13H,5-12H2,1-4H3
InChIKeyGANYIDPXTOORKY-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.40
Rot. Bonds7

About ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate

ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate (PubChem CID 11000688) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate
PubChem CID11000688
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(COOC(C)(C)C)CN1CCCCC1
InChIInChI=1S/C15H29NO4/c1-5-18-14(17)13(12-19-20-15(2,3)4)11-16-9-7-6-8-10-16/h13H,5-12H2,1-4H3
InChIKeyGANYIDPXTOORKY-UHFFFAOYSA-N
XLogP2.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-Methyl-3-(piperidin-1-yl)propanoate
CID 12695439
Ethyl 2-(tert-butylperoxymethyl)-3-pyrrolidin-1-ylpropanoate
CID 10540206
[3-[(2-Methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate
CID 54507528
Tert-butyl 3-(1-methylpiperidin-4-yl)oxypropanoate
CID 57779024
4-(2-Methoxycarbonylethoxy)piperidine-1-carboxylic acid tert-butyl ester
CID 69035161
3-O-[1-(3-ethoxy-3-oxopropyl)piperidin-4-yl] 1-O-ethyl propanedioate
CID 135160433
3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate
CID 143388129
Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate
CID 146599621
Tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate
CID 170760426
Methyl 3-(1-tert-butylpiperidin-4-yl)oxypropanoate
CID 176273784
Tert-butyl 3-(1-prop-2-ynylpiperidin-4-yl)oxypropanoate
CID 176906109
Ethyl 2-(tert-butylperoxymethyl)-3-(diethylamino)propanoate
CID 10492658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate?
The IUPAC name of ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate (CID 11000688) is ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate?
The canonical SMILES for ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate is CCOC(=O)C(COOC(C)(C)C)CN1CCCCC1.
What is the InChIKey of ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate?
The InChIKey is GANYIDPXTOORKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-5-18-14(17)13(12-19-20-15(2,3)4)11-16-9-7-6-8-10-16/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate?
ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate has a molecular weight of 287.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 11000688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).