tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate

C13H23NO4 — CID 46941891

IUPACtert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCC2CO2)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(15)14-6-4-10(5-7-14)16-8-11-9-17-11/h10-11H,4-9H2,1-3H3
InChIKeyXYOKTTJFKNPBRF-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.80
Rot. Bonds3

About tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate

tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 46941891) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
PubChem CID46941891
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCC2CO2)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(15)14-6-4-10(5-7-14)16-8-11-9-17-11/h10-11H,4-9H2,1-3H3
InChIKeyXYOKTTJFKNPBRF-UHFFFAOYSA-N
XLogP1.80
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate
CID 66817921
tert-butyl 4-[[(2R)-oxiran-2-yl]methoxymethyl]piperidine-1-carboxylate
CID 97179772
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-[[4-(hydroxymethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 176864103
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-but-2-ynoxypiperidine-1-carboxylate
CID 154957626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate (CID 46941891) is tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCC2CO2)CC1.
What is the InChIKey of tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is XYOKTTJFKNPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-12(15)14-6-4-10(5-7-14)16-8-11-9-17-11/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate?
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 46941891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).