tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate

C13H23NO5 — CID 170760426

IUPACtert-butyl 3-(piperidine-1-carbonylperoxy)propanoate
SMILESCC(C)(C)OC(=O)CCOOC(=O)N1CCCCC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)18-11(15)7-10-17-19-12(16)14-8-5-4-6-9-14/h4-10H2,1-3H3
InChIKeyRTSBECONQFIUBG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.27
Rot. Bonds4

About tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate

tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate (PubChem CID 170760426) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(piperidine-1-carbonylperoxy)propanoate
PubChem CID170760426
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl 3-(piperidine-1-carbonylperoxy)propanoate
SMILESCC(C)(C)OC(=O)CCOOC(=O)N1CCCCC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)18-11(15)7-10-17-19-12(16)14-8-5-4-6-9-14/h4-10H2,1-3H3
InChIKeyRTSBECONQFIUBG-UHFFFAOYSA-N
XLogP2.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl piperidine-1-carboperoxoate
CID 140533006
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate
CID 106707693
tert-butyl 2-(azepane-1-carbothioylsulfanyl)acetate
CID 71677639
tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
CID 106706926

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate?
The IUPAC name of tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate (CID 170760426) is tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate.
What is the SMILES notation for tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate?
The canonical SMILES for tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate is CC(C)(C)OC(=O)CCOOC(=O)N1CCCCC1.
What is the InChIKey of tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate?
The InChIKey is RTSBECONQFIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)18-11(15)7-10-17-19-12(16)14-8-5-4-6-9-14/h4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate?
tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate has a molecular weight of 273.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate is sourced from PubChem (CID 170760426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).